##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_Compound-A
_audit_creation_method     'SHELXL-2014/7'
_database_code_depnum_ccdc_archive     'CCDC 1041494'
_chemical_name_systematic
;\
Bis(tetramethylammonium)
decaaquadi-μ₄oxido-tetra-μ₃-oxido-hexadeca-μ₂-oxido-\
hexaoxidodimanganesedecavanadate pentahydrate
;
_chemical_formula_moiety     '2(C4 H12 N +), V10 O38 H20 Mn2 2-, 5(H2 O)'
_chemical_formula_sum     'C8 H54 Mn2 N2 O43 V10'
_chemical_formula_structural     '(NMe4)2.[Mn(H2O)5-V10O28-Mn(H2O)5].5(H20)'
_chemical_formula_iupac     '(C4 H12 N)2, [Mn2 V10 O28 (H2 O)10], 5H2 O'
_chemical_formula_weight     1485.81
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'I 2/m'
_space_group_name_Hall     '-I 2y'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z'
    'x+1/2, y+1/2, z+1/2'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z'
    '-x+1/2, -y+1/2, -z+1/2'
    'x+1/2, -y+1/2, z+1/2'
_cell_length_a     13.2434(7)
_cell_length_b     9.6402(5)
_cell_length_c     17.7628(13)
_cell_angle_alpha     90
_cell_angle_beta     98.626(2)
_cell_angle_gamma     90
_cell_volume     2242.1(2)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     9256
_cell_measurement_theta_min     3.11
_cell_measurement_theta_max     28.31
_cell_measurement_temperature     292(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.482
_exptl_crystal_size_mid     0.380
_exptl_crystal_size_min     0.150
_exptl_crystal_density_diffrn     2.201
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     1480
_exptl_absorpt_coefficient_mu     2.641
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2012)
;
_shelx_estimated_absorpt_T_min     0.363
_shelx_estimated_absorpt_T_max     0.693
_exptl_absorpt_correction_T_min     0.562
_exptl_absorpt_correction_T_max     0.746
_exptl_special_details     ?
_diffrn_ambient_temperature     292(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker D8 Venture/Photon 100 CMOS'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     10.4167
_diffrn_reflns_number     81983
_diffrn_reflns_av_R_equivalents     0.0248
_diffrn_reflns_theta_min     3.112
_diffrn_reflns_theta_max     28.356
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -17
_diffrn_reflns_limit_h_max     17
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -23
_diffrn_reflns_limit_l_max     23
_refine_special_details     ?
_reflns_number_total     2953
_reflns_number_gt     2752
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0222
_refine_ls_R_factor_gt     0.0200
_refine_ls_wR_factor_gt     0.0581
_refine_ls_wR_factor_ref     0.0597
_refine_ls_goodness_of_fit_ref     1.093
_refine_ls_restrained_S_all     1.093
_refine_ls_number_reflns     2953
_refine_ls_number_parameters     194
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'w=1/[σ²(Fo²)+(0.0329P)²+2.2668P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.581
_refine_diff_density_min     -0.343
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'V' 'V' 0.3005 0.5294
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Mn' 'Mn' 0.3368 0.7283
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
APEX2 (Bruker, 2010)
;
_computing_cell_refinement
;
SAINT (Bruker, 2010)
;
_computing_data_reduction
;
SAINT (Bruker, 2010)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2013 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008) and WinGX (Farrugia, 2012)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Mn Mn1 0.23106(3) 0.5000 0.18528(2) 0.02403(8) Uani d 1 . .
    V V2 0.32741(2) 0.5000 0.39643(2) 0.01725(8) Uani d 1 . .
    V V3 0.5000 0.66921(3) 0.5000 0.01425(8) Uani d 1 . .
    V V4 0.54714(3) 0.5000 0.35620(2) 0.01948(8) Uani d 1 . .
    V V5 0.28084(2) 0.65841(2) 0.54017(2) 0.02209(7) Uani d 1 . .
    O O1 0.15020(19) 0.5000 0.07177(11) 0.0480(6) Uani d 1 . .
    O O2 0.13101(10) 0.32849(12) 0.20645(7) 0.0293(2) Uani d 1 . .
    O O3 0.33574(10) 0.33360(12) 0.15931(7) 0.0310(3) Uani d 1 . .
    O O4 0.28574(12) 0.5000 0.30500(8) 0.0253(3) Uani d 1 . .
    O O5 0.50366(14) 0.5000 0.26708(8) 0.0328(4) Uani d 1 . .
    O O6 0.25845(7) 0.36038(10) 0.43170(6) 0.0223(2) Uani d 1 . .
    O O7 0.44883(7) 0.62838(10) 0.39540(5) 0.01665(18) Uani d 1 . .
    O O8 0.64321(8) 0.36184(11) 0.36540(5) 0.0230(2) Uani d 1 . .
    O O9 0.40458(10) 0.5000 0.51485(7) 0.0153(2) Uani d 1 . .
    O O10 0.20825(11) 0.5000 0.54989(9) 0.0257(3) Uani d 1 . .
    O O11 0.40317(7) 0.77369(10) 0.51675(5) 0.02001(19) Uani d 1 . .
    O O12 0.20299(9) 0.78080(13) 0.55243(7) 0.0365(3) Uani d 1 . .
    H H1A 0.1272(17) 0.437(2) 0.0491(13) 0.053(7) Uiso d 1 . .
    H H2A 0.1052(16) 0.285(2) 0.1767(12) 0.038(6) Uiso d 1 . .
    H H2B 0.1397(15) 0.285(2) 0.2440(13) 0.038(6) Uiso d 1 . .
    H H3A 0.3060(19) 0.283(3) 0.1339(14) 0.053(7) Uiso d 1 . .
    H H3B 0.392(2) 0.359(3) 0.1441(17) 0.087(10) Uiso d 1 . .
    N N1 0.85954(17) 0.5000 0.23196(11) 0.0348(4) Uani d 1 . .
    C C10 0.9084(2) 0.5000 0.16133(14) 0.0373(5) Uani d 1 . .
    H H10A 0.8883 0.4181 0.1321 0.056 Uiso calc 0.5 . .
    H H10B 0.8870 0.5807 0.1315 0.056 Uiso calc 0.5 . .
    H H10C 0.9813 0.5011 0.1750 0.056 Uiso calc 1 . .
    C C11 0.8902(2) 0.3739(2) 0.27733(14) 0.0706(8) Uani d 1 . .
    H H11A 0.8699 0.2930 0.2473 0.106 Uiso calc 1 . .
    H H11B 0.9630 0.3735 0.2920 0.106 Uiso calc 1 . .
    H H11C 0.8577 0.3735 0.3221 0.106 Uiso calc 1 . .
    C C12 0.7469(3) 0.5000 0.2091(2) 0.0895(16) Uani d 1 . .
    H H12A 0.7269 0.4184 0.1797 0.134 Uiso calc 0.5 . .
    H H12B 0.7142 0.5007 0.2539 0.134 Uiso calc 1 . .
    H H12C 0.7270 0.5810 0.1791 0.134 Uiso calc 0.5 . .
    O O13 0.5022(2) 0.3567(5) 0.0856(2) 0.1752(17) Uani d 1 . .
    O O14A 0.5000 0.0973(14) 0.0000 0.143(14) Uani d 0.280(18) A 1
    O O14B 0.4760(18) 0.0000 0.0562(15) 0.158(18) Uani d 0.220(18) A 2
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Mn1 O1 . 2.1365(18) ?
    Mn1 O4 . 2.1412(14) ?
    Mn1 O2 . 2.1863(12) ?
    Mn1 O2 6_565 2.1863(12) ?
    Mn1 O3 . 2.2136(12) ?
    Mn1 O3 6_565 2.2136(12) ?
    V2 O4 . 1.6350(14) ?
    V2 O6 . 1.7916(10) ?
    V2 O6 6_565 1.7916(10) ?
    V2 O7 6_565 2.0314(10) ?
    V2 O7 . 2.0314(10) ?
    V2 O9 . 2.1964(12) ?
    V2 V4 . 3.0988(5) ?
    V2 V5 . 3.1152(4) ?
    V2 V5 6_565 3.1153(4) ?
    V3 O11 . 1.6917(10) ?
    V3 O11 2_656 1.6918(10) ?
    V3 O7 . 1.9205(9) ?
    V3 O7 2_656 1.9205(9) ?
    V3 O9 . 2.1041(9) ?
    V3 O9 5_666 2.1041(9) ?
    V3 V5 . 3.0928(3) ?
    V3 V5 2_656 3.0928(3) ?
    V4 O5 . 1.6013(15) ?
    V4 O8 6_565 1.8322(10) ?
    V4 O8 . 1.8322(10) ?
    V4 O7 . 1.9959(10) ?
    V4 O7 6_565 1.9959(10) ?
    V4 O9 5_666 2.2840(12) ?
    V4 V5 2_656 3.1069(4) ?
    V4 V5 5_666 3.1069(4) ?
    V5 O12 . 1.6030(11) ?
    V5 O10 . 1.8264(8) ?
    V5 O8 5_666 1.8322(10) ?
    V5 O6 6_565 1.9136(10) ?
    V5 O11 . 2.0579(10) ?
    V5 O9 . 2.3326(10) ?
    V5 V5 6_565 3.0543(5) ?
    V5 V4 5_666 3.1068(4) ?
    O1 H1A . 0.76(2) ?
    O2 H2A . 0.72(2) ?
    O2 H2B . 0.78(2) ?
    O3 H3A . 0.74(3) ?
    O3 H3B . 0.87(3) ?
    O6 V5 6_565 1.9137(10) ?
    O8 V5 5_666 1.8322(10) ?
    O9 V3 5_666 2.1041(9) ?
    O9 V4 5_666 2.2840(12) ?
    O9 V5 6_565 2.3327(10) ?
    O10 V5 6_565 1.8264(8) ?
    N1 C11 6_565 1.481(2) ?
    N1 C11 . 1.481(2) ?
    N1 C12 . 1.486(4) ?
    N1 C10 . 1.496(3) ?
    C10 H10A . 0.9600 ?
    C10 H10B . 0.9600 ?
    C10 H10C . 0.9600 ?
    C11 H11A . 0.9600 ?
    C11 H11B . 0.9600 ?
    C11 H11C . 0.9600 ?
    C12 H12A . 0.9600 ?
    C12 H12B . 0.9600 ?
    C12 H12C . 0.9600 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1 Mn1 O4 . . 169.83(9) ?
    O1 Mn1 O2 . . 86.07(6) ?
    O4 Mn1 O2 . . 87.28(4) ?
    O1 Mn1 O2 . 6_565 86.07(6) ?
    O4 Mn1 O2 . 6_565 87.28(4) ?
    O2 Mn1 O2 . 6_565 98.27(7) ?
    O1 Mn1 O3 . . 92.53(6) ?
    O4 Mn1 O3 . . 94.47(4) ?
    O2 Mn1 O3 . . 84.40(5) ?
    O2 Mn1 O3 6_565 . 176.89(5) ?
    O1 Mn1 O3 . 6_565 92.53(6) ?
    O4 Mn1 O3 . 6_565 94.47(4) ?
    O2 Mn1 O3 . 6_565 176.88(5) ?
    O2 Mn1 O3 6_565 6_565 84.40(5) ?
    O3 Mn1 O3 . 6_565 92.89(7) ?
    O4 V2 O6 . . 103.51(5) ?
    O4 V2 O6 . 6_565 103.51(5) ?
    O6 V2 O6 . 6_565 97.40(7) ?
    O4 V2 O7 . 6_565 98.09(5) ?
    O6 V2 O7 . 6_565 89.49(4) ?
    O6 V2 O7 6_565 6_565 155.03(4) ?
    O4 V2 O7 . . 98.09(5) ?
    O6 V2 O7 . . 155.03(4) ?
    O6 V2 O7 6_565 . 89.49(4) ?
    O7 V2 O7 6_565 . 75.07(5) ?
    O4 V2 O9 . . 172.10(7) ?
    O6 V2 O9 . . 81.57(4) ?
    O6 V2 O9 6_565 . 81.57(4) ?
    O7 V2 O9 6_565 . 75.72(4) ?
    O7 V2 O9 . . 75.72(4) ?
    O4 V2 V4 . . 87.69(6) ?
    O6 V2 V4 . . 128.77(3) ?
    O6 V2 V4 6_565 . 128.77(3) ?
    O7 V2 V4 6_565 . 39.28(3) ?
    O7 V2 V4 . . 39.28(3) ?
    O9 V2 V4 . . 84.41(4) ?
    O4 V2 V5 . . 137.34(4) ?
    O6 V2 V5 . . 84.70(3) ?
    O6 V2 V5 6_565 . 34.01(3) ?
    O7 V2 V5 6_565 . 124.08(3) ?
    O7 V2 V5 . . 87.88(3) ?
    O9 V2 V5 . . 48.39(3) ?
    V4 V2 V5 . . 119.816(10) ?
    O4 V2 V5 . 6_565 137.34(4) ?
    O6 V2 V5 . 6_565 34.02(3) ?
    O6 V2 V5 6_565 6_565 84.70(3) ?
    O7 V2 V5 6_565 6_565 87.88(3) ?
    O7 V2 V5 . 6_565 124.08(3) ?
    O9 V2 V5 . 6_565 48.39(3) ?
    V4 V2 V5 . 6_565 119.816(10) ?
    V5 V2 V5 . 6_565 58.710(11) ?
    O11 V3 O11 . 2_656 106.92(7) ?
    O11 V3 O7 . . 97.20(4) ?
    O11 V3 O7 2_656 . 96.82(4) ?
    O11 V3 O7 . 2_656 96.82(4) ?
    O11 V3 O7 2_656 2_656 97.20(4) ?
    O7 V3 O7 . 2_656 156.35(6) ?
    O11 V3 O9 . . 87.37(4) ?
    O11 V3 O9 2_656 . 165.69(5) ?
    O7 V3 O9 . . 80.27(4) ?
    O7 V3 O9 2_656 . 81.45(4) ?
    O11 V3 O9 . 5_666 165.69(5) ?
    O11 V3 O9 2_656 5_666 87.38(4) ?
    O7 V3 O9 . 5_666 81.45(4) ?
    O7 V3 O9 2_656 5_666 80.27(4) ?
    O9 V3 O9 . 5_666 78.34(6) ?
    O11 V3 V5 . . 38.47(3) ?
    O11 V3 V5 2_656 . 145.38(4) ?
    O7 V3 V5 . . 90.52(3) ?
    O7 V3 V5 2_656 . 88.69(3) ?
    O9 V3 V5 . . 48.93(3) ?
    O9 V3 V5 5_666 . 127.22(3) ?
    O11 V3 V5 . 2_656 145.38(4) ?
    O11 V3 V5 2_656 2_656 38.47(3) ?
    O7 V3 V5 . 2_656 88.68(3) ?
    O7 V3 V5 2_656 2_656 90.52(3) ?
    O9 V3 V5 . 2_656 127.22(3) ?
    O9 V3 V5 5_666 2_656 48.93(3) ?
    V5 V3 V5 . 2_656 176.145(13) ?
    O5 V4 O8 . 6_565 103.31(5) ?
    O5 V4 O8 . . 103.30(5) ?
    O8 V4 O8 6_565 . 93.26(7) ?
    O5 V4 O7 . . 100.85(6) ?
    O8 V4 O7 6_565 . 89.92(4) ?
    O8 V4 O7 . . 154.18(4) ?
    O5 V4 O7 . 6_565 100.85(6) ?
    O8 V4 O7 6_565 6_565 154.18(4) ?
    O8 V4 O7 . 6_565 89.92(4) ?
    O7 V4 O7 . 6_565 76.64(6) ?
    O5 V4 O9 . 5_666 175.24(8) ?
    O8 V4 O9 6_565 5_666 79.88(4) ?
    O8 V4 O9 . 5_666 79.88(4) ?
    O7 V4 O9 . 5_666 75.47(4) ?
    O7 V4 O9 6_565 5_666 75.48(4) ?
    O5 V4 V2 . . 90.98(7) ?
    O8 V4 V2 6_565 . 130.01(3) ?
    O8 V4 V2 . . 130.01(3) ?
    O7 V4 V2 . . 40.12(3) ?
    O7 V4 V2 6_565 . 40.12(3) ?
    O9 V4 V2 5_666 . 84.26(3) ?
    O5 V4 V5 . 2_656 135.13(5) ?
    O8 V4 V5 6_565 2_656 32.02(3) ?
    O8 V4 V5 . 2_656 82.35(3) ?
    O7 V4 V5 . 2_656 86.97(3) ?
    O7 V4 V5 6_565 2_656 123.83(3) ?
    O9 V4 V5 5_666 2_656 48.37(3) ?
    V2 V4 V5 . 2_656 119.596(11) ?
    O5 V4 V5 . 5_666 135.13(5) ?
    O8 V4 V5 6_565 5_666 82.35(3) ?
    O8 V4 V5 . 5_666 32.02(3) ?
    O7 V4 V5 . 5_666 123.83(3) ?
    O7 V4 V5 6_565 5_666 86.97(3) ?
    O9 V4 V5 5_666 5_666 48.37(3) ?
    V2 V4 V5 . 5_666 119.596(11) ?
    V5 V4 V5 2_656 5_666 58.884(11) ?
    O12 V5 O10 . . 104.13(6) ?
    O12 V5 O8 . 5_666 103.30(6) ?
    O10 V5 O8 . 5_666 92.80(6) ?
    O12 V5 O6 . 6_565 101.58(6) ?
    O10 V5 O6 . 6_565 90.67(6) ?
    O8 V5 O6 5_666 6_565 153.19(5) ?
    O12 V5 O11 . . 99.90(6) ?
    O10 V5 O11 . . 155.80(5) ?
    O8 V5 O11 5_666 . 84.37(4) ?
    O6 V5 O11 6_565 . 81.68(4) ?
    O12 V5 O9 . . 173.12(5) ?
    O10 V5 O9 . . 82.29(4) ?
    O8 V5 O9 5_666 . 78.56(4) ?
    O6 V5 O9 6_565 . 75.59(4) ?
    O11 V5 O9 . . 73.59(3) ?
    O12 V5 V5 . 6_565 137.39(5) ?
    O10 V5 V5 . 6_565 33.27(4) ?
    O8 V5 V5 5_666 6_565 83.88(3) ?
    O6 V5 V5 6_565 6_565 84.57(3) ?
    O11 V5 V5 . 6_565 122.69(3) ?
    O9 V5 V5 . 6_565 49.10(2) ?
    O12 V5 V3 . . 130.66(5) ?
    O10 V5 V3 . . 125.13(4) ?
    O8 V5 V3 5_666 . 79.01(3) ?
    O6 V5 V3 6_565 . 77.29(3) ?
    O11 V5 V3 . . 30.76(3) ?
    O9 V5 V3 . . 42.84(2) ?
    V5 V5 V3 6_565 . 91.929(7) ?
    O12 V5 V4 . 5_666 135.29(5) ?
    O10 V5 V4 . 5_666 83.26(4) ?
    O8 V5 V4 5_666 5_666 32.02(3) ?
    O6 V5 V4 6_565 5_666 122.63(3) ?
    O11 V5 V4 . 5_666 81.71(3) ?
    O9 V5 V4 . 5_666 47.04(3) ?
    V5 V5 V4 6_565 5_666 60.558(6) ?
    V3 V5 V4 . 5_666 61.520(9) ?
    O12 V5 V2 . . 133.04(5) ?
    O10 V5 V2 . . 80.75(4) ?
    O8 V5 V2 5_666 . 123.30(3) ?
    O6 V5 V2 6_565 . 31.58(3) ?
    O11 V5 V2 . . 80.81(3) ?
    O9 V5 V2 . . 44.75(3) ?
    V5 V5 V2 6_565 . 60.645(6) ?
    V3 V5 V2 . . 61.274(8) ?
    V4 V5 V2 5_666 . 91.545(10) ?
    Mn1 O1 H1A . . 127.0(17) ?
    Mn1 O2 H2A . . 123.2(17) ?
    Mn1 O2 H2B . . 122.5(15) ?
    H2A O2 H2B . . 108(2) ?
    Mn1 O3 H3A . . 108.1(19) ?
    Mn1 O3 H3B . . 117(2) ?
    H3A O3 H3B . . 114(3) ?
    V2 O4 Mn1 . . 179.96(10) ?
    V2 O6 V5 . 6_565 114.40(5) ?
    V3 O7 V4 . . 108.10(4) ?
    V3 O7 V2 . . 106.33(4) ?
    V4 O7 V2 . . 100.60(4) ?
    V5 O8 V4 5_666 . 115.96(5) ?
    V3 O9 V3 5_666 . 101.66(6) ?
    V3 O9 V2 5_666 . 94.70(4) ?
    V3 O9 V2 . . 94.70(4) ?
    V3 O9 V4 5_666 5_666 92.45(4) ?
    V3 O9 V4 . 5_666 92.45(4) ?
    V2 O9 V4 . 5_666 168.68(7) ?
    V3 O9 V5 5_666 . 169.81(5) ?
    V3 O9 V5 . . 88.231(11) ?
    V2 O9 V5 . . 86.86(4) ?
    V4 O9 V5 5_666 . 84.59(4) ?
    V3 O9 V5 5_666 6_565 88.232(11) ?
    V3 O9 V5 . 6_565 169.81(5) ?
    V2 O9 V5 . 6_565 86.86(4) ?
    V4 O9 V5 5_666 6_565 84.59(4) ?
    V5 O9 V5 . 6_565 81.79(4) ?
    V5 O10 V5 6_565 . 113.47(8) ?
    V3 O11 V5 . . 110.76(5) ?
    C11 N1 C11 6_565 . 110.3(3) ?
    C11 N1 C12 6_565 . 109.32(18) ?
    C11 N1 C12 . . 109.32(18) ?
    C11 N1 C10 6_565 . 109.79(14) ?
    C11 N1 C10 . . 109.79(14) ?
    C12 N1 C10 . . 108.3(2) ?
    N1 C10 H10A . . 109.5 ?
    N1 C10 H10B . . 109.5 ?
    H10A C10 H10B . . 109.5 ?
    N1 C10 H10C . . 109.5 ?
    H10A C10 H10C . . 109.5 ?
    H10B C10 H10C . . 109.5 ?
    N1 C11 H11A . . 109.5 ?
    N1 C11 H11B . . 109.5 ?
    H11A C11 H11B . . 109.5 ?
    N1 C11 H11C . . 109.5 ?
    H11A C11 H11C . . 109.5 ?
    H11B C11 H11C . . 109.5 ?
    N1 C12 H12A . . 109.5 ?
    N1 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    N1 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O4 V2 O6 V5 . . . 6_565 -174.84(6) ?
    O6 V2 O6 V5 6_565 . . 6_565 -68.97(7) ?
    O7 V2 O6 V5 6_565 . . 6_565 86.96(6) ?
    O7 V2 O6 V5 . . . 6_565 35.96(13) ?
    O9 V2 O6 V5 . . . 6_565 11.32(5) ?
    V4 V2 O6 V5 . . . 6_565 87.13(6) ?
    V5 V2 O6 V5 . . . 6_565 -37.34(5) ?
    O5 V4 O8 V5 . . . 5_666 174.45(7) ?
    O8 V4 O8 V5 6_565 . . 5_666 69.96(7) ?
    O7 V4 O8 V5 . . . 5_666 -26.63(13) ?
    O7 V4 O8 V5 6_565 . . 5_666 -84.41(6) ?
    O9 V4 O8 V5 5_666 . . 5_666 -9.15(5) ?
    V2 V4 O8 V5 . . . 5_666 -82.75(6) ?
    V5 V4 O8 V5 2_656 . . 5_666 39.78(5) ?
    O12 V5 O10 V5 . . . 6_565 -178.86(8) ?
    O8 V5 O10 V5 5_666 . . 6_565 -74.39(8) ?
    O6 V5 O10 V5 6_565 . . 6_565 79.02(8) ?
    O11 V5 O10 V5 . . . 6_565 8.1(2) ?
    O9 V5 O10 V5 . . . 6_565 3.67(8) ?
    V3 V5 O10 V5 . . . 6_565 4.14(11) ?
    V4 V5 O10 V5 5_666 . . 6_565 -43.77(7) ?
    V2 V5 O10 V5 . . . 6_565 48.91(7) ?
    O11 V3 O11 V5 2_656 . . . -178.88(6) ?
    O7 V3 O11 V5 . . . . 81.71(5) ?
    O7 V3 O11 V5 2_656 . . . -79.19(5) ?
    O9 V3 O11 V5 . . . . 1.87(5) ?
    O9 V3 O11 V5 5_666 . . . -1.9(2) ?
    V5 V3 O11 V5 2_656 . . . 179.893(6) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1 H1A O11 4_545 0.76(2) 1.97(2) 2.7199(14) 168(2)
    O2 H2A O7 4_545 0.72(2) 2.04(2) 2.7457(15) 167(2)
    O2 H2B O3 7 0.78(2) 2.05(2) 2.8295(18) 178(2)
    O3 H3A O6 7 0.74(3) 1.92(3) 2.6573(16) 174(3)
    O3 H3B O13 . 0.87(3) 1.91(3) 2.737(3) 158(3)
    C10 H10A O11 3_544 0.96 2.51 3.362(2) 148
    C10 H10B O11 8_564 0.96 2.51 3.362(2) 148
    C10 H10C O2 1_655 0.96 2.58 3.370(3) 139
    C10 H10C O2 6_665 0.96 2.57 3.370(3) 141
    C11 H11A O8 7_655 0.96 2.48 3.384(3) 156
    C12 H12A O12 3_544 0.96 2.60 3.474(4) 152
    C12 H12C O12 8_564 0.96 2.59 3.474(4) 153
data_Compound-B
_audit_creation_method     'SHELXL-2014/7'
_database_code_depnum_ccdc_archive     'CCDC 1041495'
_chemical_name_systematic
;\
Bis{[tris(hydroxymethyl)methyl]ammonium}
decaaquadi-μ₄oxido-tetra-μ₃-oxido-hexadeca-μ₂-oxido-\
hexaoxidodimanganesedecavanadate dihydrate
;
_chemical_formula_moiety     '2(C4 H12 N O3 +), V10 O38 H20 Mn2 2-, 2(H2 O)'
_chemical_formula_sum     'C8 H48 Mn2 N2 O46 V10'
_chemical_formula_structural
                                '[NH3C(CH2OH)3]2, [V10 O28 {Mn(H2O)5}2], 2(H2O)'
_chemical_formula_iupac     '(C4 H12 N O3)2 [Mn2 V10 O28 (H2 O1)10], 2H2 O'
_chemical_formula_weight     1527.76
_chemical_melting_point     ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'C 2/c'
_space_group_name_Hall     '-C 2yc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     19.3147(8)
_cell_length_b     9.7733(4)
_cell_length_c     22.7952(10)
_cell_angle_alpha     90
_cell_angle_beta     96.3920(10)
_cell_angle_gamma     90
_cell_volume     4276.3(3)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     38099
_cell_measurement_theta_min     3.02
_cell_measurement_theta_max     25.40
_cell_measurement_temperature     295(2)
_exptl_crystal_description     'plate'
_exptl_crystal_colour     'yellow'
_exptl_crystal_size_max     0.490
_exptl_crystal_size_mid     0.260
_exptl_crystal_size_min     0.130
_exptl_crystal_density_diffrn     2.373
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     3032
_exptl_absorpt_coefficient_mu     2.778
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2012)
;
_shelx_estimated_absorpt_T_min     0.343
_shelx_estimated_absorpt_T_max     0.714
_exptl_absorpt_correction_T_min     0.542
_exptl_absorpt_correction_T_max     0.745
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker D8 Venture/Photon 100 CMOS'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     10.4167
_diffrn_reflns_number     71752
_diffrn_reflns_av_R_equivalents     0.0386
_diffrn_reflns_theta_min     2.877
_diffrn_reflns_theta_max     25.449
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.994
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -23
_diffrn_reflns_limit_h_max     23
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -27
_diffrn_reflns_limit_l_max     27
_refine_special_details     ?
_reflns_number_total     3936
_reflns_number_gt     3280
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0625
_refine_ls_R_factor_gt     0.0515
_refine_ls_wR_factor_gt     0.1103
_refine_ls_wR_factor_ref     0.1135
_refine_ls_goodness_of_fit_ref     1.118
_refine_ls_restrained_S_all     1.117
_refine_ls_number_reflns     3936
_refine_ls_number_parameters     385
_refine_ls_number_restraints     6
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
            'w=1/[σ²(Fo²)+(0.0062P)²+110.7865P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.776
_refine_diff_density_min     -1.114
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'V' 'V' 0.3005 0.5294
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Mn' 'Mn' 0.3368 0.7283
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
APEX2 (Bruker, 2010)
;
_computing_cell_refinement
;
SAINT (Bruker, 2010)
;
_computing_data_reduction
;
SAINT (Bruker, 2010)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick 2008)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008) and WinGX (Farrugia, 2012)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Mn Mn1 0.80093(5) 0.43409(10) 0.18078(4) 0.0239(2) Uani d 1 . .
    V V2 0.60396(5) 0.43006(10) 0.17920(4) 0.0172(2) Uani d 1 . .
    V V3 0.62652(5) 0.43454(11) 0.31542(4) 0.0182(2) Uani d 1 . .
    V V4 0.47896(5) 0.58914(11) 0.11421(5) 0.0226(3) Uani d 1 . .
    V V5 0.47615(5) 0.27690(11) 0.11376(5) 0.0222(2) Uani d 1 . .
    V V6 0.5000 0.59971(13) 0.2500 0.0165(3) Uani d 1 . .
    V V7 0.5000 0.26656(14) 0.2500 0.0153(3) Uani d 1 . .
    O O1 0.6885(2) 0.4257(4) 0.17944(18) 0.0228(9) Uani d 1 . .
    O O2 0.7094(2) 0.4358(5) 0.31283(18) 0.0239(9) Uani d 1 . .
    O O3 0.5769(2) 0.5689(4) 0.12912(18) 0.0223(9) Uani d 1 . .
    O O4 0.5757(2) 0.2948(4) 0.12929(18) 0.0195(9) Uani d 1 . .
    O O5 0.59743(19) 0.5594(4) 0.24810(17) 0.0185(8) Uani d 1 . .
    O O6 0.59724(18) 0.3057(4) 0.24851(17) 0.0148(8) Uani d 1 . .
    O O7 0.6131(2) 0.5718(4) 0.36695(18) 0.0234(9) Uani d 1 . .
    O O8 0.6144(2) 0.2967(4) 0.36707(18) 0.0220(9) Uani d 1 . .
    O O9 0.4718(3) 0.7085(5) 0.0667(2) 0.0362(12) Uani d 1 . .
    O O10 0.4714(2) 0.4332(5) 0.06979(18) 0.0255(9) Uani d 1 . .
    O O11 0.4680(2) 0.1569(5) 0.0664(2) 0.0324(11) Uani d 1 . .
    O O12 0.4913(2) 0.7043(4) 0.19037(19) 0.0251(10) Uani d 1 . .
    O O13 0.49147(19) 0.4337(4) 0.19135(17) 0.0157(8) Uani d 1 . .
    O O14 0.4907(2) 0.1636(4) 0.18997(18) 0.0186(9) Uani d 1 . .
    O O1W 0.9115(3) 0.4350(7) 0.1854(4) 0.056(2) Uani d 1 . .
    O O2W 0.8106(3) 0.2701(6) 0.2493(2) 0.0282(12) Uani d 1 . .
    O O3W 0.7972(3) 0.2741(5) 0.1120(2) 0.0260(10) Uani d 1 . .
    O O4W 0.8094(3) 0.5982(5) 0.2475(2) 0.0255(10) Uani d 1 . .
    O O5W 0.7904(4) 0.5909(8) 0.1149(3) 0.0463(17) Uani d 1 . .
    H H1A 0.929(6) 0.497(12) 0.182(5) 0.08(4) Uiso d 1 . .
    H H1B 0.936(4) 0.383(8) 0.187(3) 0.015(19) Uiso d 1 . .
    H H2A 0.832(4) 0.227(8) 0.248(3) 0.01(2) Uiso d 1 . .
    H H2B 0.820(5) 0.297(10) 0.286(4) 0.06(3) Uiso d 1 . .
    H H3A 0.820(5) 0.220(10) 0.119(4) 0.05(3) Uiso d 1 . .
    H H3B 0.799(4) 0.295(8) 0.075(4) 0.03(2) Uiso d 1 . .
    H H4A 0.841(6) 0.653(11) 0.245(4) 0.08(4) Uiso d 1 . .
    H H4B 0.775(5) 0.636(9) 0.245(4) 0.04(3) Uiso d 1 . .
    H H5A 0.812(6) 0.626(12) 0.119(5) 0.06(5) Uiso d 1 . .
    H H5B 0.774(7) 0.564(14) 0.082(6) 0.11(5) Uiso d 1 . .
    N N1 0.8230(3) 0.5979(5) 0.3845(2) 0.0246(12) Uani d 1 . .
    H H1C 0.7881 0.6509 0.3932 0.029 Uiso calc 1 . .
    H H1D 0.8090 0.5474 0.3529 0.029 Uiso calc 1 . .
    H H1E 0.8588 0.6500 0.3770 0.029 Uiso calc 1 . .
    C C10 0.8451(3) 0.5061(7) 0.4357(3) 0.0275(14) Uani d 1 . .
    C C11 0.8775(4) 0.5944(7) 0.4861(3) 0.0341(16) Uani d 1 . .
    H H11B 0.8885 0.5386 0.5211 0.041 Uiso calc 1 . .
    H H11C 0.9205 0.6343 0.4758 0.041 Uiso calc 1 . .
    O O11A 0.8302(3) 0.7007(6) 0.4981(3) 0.0517(15) Uani d 1 . .
    H H11A 0.8462 0.7751 0.4899 0.078 Uiso calc 1 . .
    C C12 0.8985(4) 0.4081(8) 0.4159(4) 0.047(2) Uani d 1 . .
    H H12B 0.9374 0.4588 0.4034 0.056 Uiso calc 1 . .
    H H12C 0.9159 0.3489 0.4484 0.056 Uiso calc 1 . .
    O O12A 0.8665(4) 0.3279(6) 0.3681(3) 0.0591(18) Uani d 1 . .
    H H12A 0.8860 0.2534 0.3679 0.089 Uiso calc 1 . .
    C C13 0.7796(5) 0.4328(9) 0.4506(4) 0.050(2) Uani d 1 . .
    H H13C 0.7442 0.4997 0.4573 0.061 Uiso calc 0.694(13) A 1
    H H13D 0.7615 0.3755 0.4177 0.061 Uiso calc 0.694(13) A 1
    H H13E 0.7442 0.4383 0.4170 0.061 Uiso calc 0.306(13) A 2
    H H13F 0.7902 0.3369 0.4580 0.061 Uiso calc 0.306(13) A 2
    O O13A 0.7939(7) 0.3553(10) 0.4991(4) 0.073(4) Uani d 0.694(13) A 1
    H H13A 0.8064 0.2791 0.4896 0.110 Uiso calc 0.694(13) A 1
    O O13B 0.7539(9) 0.487(3) 0.4988(9) 0.062(8) Uani d 0.306(13) A 2
    H H13B 0.73(2) 0.44(3) 0.510(12) 0.093 Uiso calc 0.306(13) A 2
    O O6WA 0.6367(5) 0.4696(11) 0.0226(4) 0.051(3) Uani d 0.694(13) A 1
    H H6A 0.617(6) 0.465(16) 0.053(3) 0.077 Uiso d 0.694(13) A 1
    H H6B 0.612(6) 0.509(16) -0.003(4) 0.077 Uiso d 0.694(13) A 1
    O O6WB 0.6316(9) 0.596(3) 0.0209(8) 0.046(6) Uani d 0.306(13) A 2
    H H6C 0.627(13) 0.58(4) 0.055(4) 0.069 Uiso d 0.306(13) A 2
    H H6D 0.595(8) 0.58(3) 0.000(8) 0.069 Uiso d 0.306(13) A 2
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Mn1 O1W . 2.126(5) ?
    Mn1 O5W . 2.139(7) ?
    Mn1 O1 . 2.169(4) ?
    Mn1 O4W . 2.204(5) ?
    Mn1 O3W . 2.209(5) ?
    Mn1 O2W . 2.231(5) ?
    V2 O1 . 1.634(4) ?
    V2 O4 . 1.789(4) ?
    V2 O3 . 1.812(4) ?
    V2 O6 . 2.009(4) ?
    V2 O5 . 2.031(4) ?
    V2 O13 . 2.221(4) ?
    V2 V3 . 3.0875(14) ?
    V2 V4 . 3.1056(14) ?
    V3 O2 . 1.609(4) ?
    V3 O7 . 1.821(4) ?
    V3 O8 . 1.821(4) ?
    V3 O5 . 1.992(4) ?
    V3 O6 . 2.010(4) ?
    V3 O13 2_655 2.267(4) ?
    V3 V5 2_655 3.1025(14) ?
    V4 O9 . 1.587(5) ?
    V4 O10 . 1.826(5) ?
    V4 O7 2_655 1.884(4) ?
    V4 O3 . 1.895(4) ?
    V4 O12 . 2.061(5) ?
    V4 O13 . 2.316(4) ?
    V4 V5 . 3.0521(15) ?
    V4 V6 . 3.0786(11) ?
    V5 O11 . 1.590(5) ?
    V5 O10 . 1.824(5) ?
    V5 O8 2_655 1.860(4) ?
    V5 O4 . 1.925(4) ?
    V5 O14 . 2.053(4) ?
    V5 O13 . 2.334(4) ?
    V5 V7 . 3.0900(11) ?
    V5 V3 2_655 3.1025(14) ?
    V6 O12 . 1.694(4) ?
    V6 O12 2_655 1.694(4) ?
    V6 O5 . 1.928(4) ?
    V6 O5 2_655 1.928(4) ?
    V6 O13 2_655 2.097(4) ?
    V6 O13 . 2.097(4) ?
    V6 V4 2_655 3.0786(11) ?
    V7 O14 . 1.692(4) ?
    V7 O14 2_655 1.692(4) ?
    V7 O6 . 1.921(4) ?
    V7 O6 2_655 1.921(4) ?
    V7 O13 . 2.106(4) ?
    V7 O13 2_655 2.106(4) ?
    V7 V5 2_655 3.0900(11) ?
    O7 V4 2_655 1.884(4) ?
    O8 V5 2_655 1.860(4) ?
    O13 V3 2_655 2.267(4) ?
    O1W H1A . 0.70(12) ?
    O1W H1B . 0.70(7) ?
    O2W H2A . 0.60(7) ?
    O2W H2B . 0.87(10) ?
    O3W H3A . 0.70(9) ?
    O3W H3B . 0.88(8) ?
    O4W H4A . 0.82(11) ?
    O4W H4B . 0.76(9) ?
    O5W H5A . 0.55(11) ?
    O5W H5B . 0.83(14) ?
    N1 C10 . 1.496(8) ?
    N1 H1C . 0.8900 ?
    N1 H1D . 0.8900 ?
    N1 H1E . 0.8900 ?
    C10 C12 . 1.513(10) ?
    C10 C11 . 1.517(9) ?
    C10 C13 . 1.525(10) ?
    C11 O11A . 1.431(9) ?
    C11 H11B . 0.9700 ?
    C11 H11C . 0.9700 ?
    O11A H11A . 0.8200 ?
    C12 O12A . 1.426(9) ?
    C12 H12B . 0.9700 ?
    C12 H12C . 0.9700 ?
    O12A H12A . 0.8200 ?
    C13 O13A . 1.343(12) ?
    C13 O13B . 1.36(2) ?
    C13 H13C . 0.9700 ?
    C13 H13D . 0.9700 ?
    C13 H13E . 0.9700 ?
    C13 H13F . 0.9700 ?
    O13A H13A . 0.8200 ?
    O13B H13B . 0.8(4) ?
    O6WA H6A . 0.82(2) ?
    O6WA H6B . 0.82(2) ?
    O6WB H6C . 0.82(2) ?
    O6WB H6D . 0.82(2) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O1W Mn1 O5W . . 92.8(3) ?
    O1W Mn1 O1 . . 177.2(2) ?
    O5W Mn1 O1 . . 90.0(3) ?
    O1W Mn1 O4W . . 88.0(2) ?
    O5W Mn1 O4W . . 87.5(3) ?
    O1 Mn1 O4W . . 91.99(18) ?
    O1W Mn1 O3W . . 89.5(2) ?
    O5W Mn1 O3W . . 90.9(3) ?
    O1 Mn1 O3W . . 90.57(17) ?
    O4W Mn1 O3W . . 177.02(19) ?
    O1W Mn1 O2W . . 87.9(3) ?
    O5W Mn1 O2W . . 179.3(3) ?
    O1 Mn1 O2W . . 89.35(19) ?
    O4W Mn1 O2W . . 92.61(19) ?
    O3W Mn1 O2W . . 88.9(2) ?
    O1 V2 O4 . . 102.5(2) ?
    O1 V2 O3 . . 103.9(2) ?
    O4 V2 O3 . . 96.10(18) ?
    O1 V2 O6 . . 97.69(18) ?
    O4 V2 O6 . . 90.65(17) ?
    O3 V2 O6 . . 155.37(17) ?
    O1 V2 O5 . . 99.30(19) ?
    O4 V2 O5 . . 155.64(17) ?
    O3 V2 O5 . . 89.03(18) ?
    O6 V2 O5 . . 75.72(15) ?
    O1 V2 O13 . . 172.67(19) ?
    O4 V2 O13 . . 81.85(16) ?
    O3 V2 O13 . . 81.31(16) ?
    O6 V2 O13 . . 76.23(14) ?
    O5 V2 O13 . . 75.39(15) ?
    O1 V2 V3 . . 88.16(15) ?
    O4 V2 V3 . . 130.47(14) ?
    O3 V2 V3 . . 128.43(14) ?
    O6 V2 V3 . . 39.82(11) ?
    O5 V2 V3 . . 39.40(12) ?
    O13 V2 V3 . . 84.54(10) ?
    O1 V2 V4 . . 137.61(16) ?
    O4 V2 V4 . . 84.31(13) ?
    O3 V2 V4 . . 33.93(13) ?
    O6 V2 V4 . . 124.28(11) ?
    O5 V2 V4 . . 86.88(11) ?
    O13 V2 V4 . . 48.09(10) ?
    V3 V2 V4 . . 119.20(4) ?
    O2 V3 O7 . . 103.4(2) ?
    O2 V3 O8 . . 103.3(2) ?
    O7 V3 O8 . . 95.17(19) ?
    O2 V3 O5 . . 99.42(19) ?
    O7 V3 O5 . . 89.87(18) ?
    O8 V3 O5 . . 154.91(18) ?
    O2 V3 O6 . . 100.03(19) ?
    O7 V3 O6 . . 154.59(17) ?
    O8 V3 O6 . . 88.95(18) ?
    O5 V3 O6 . . 76.57(15) ?
    O2 V3 O13 . 2_655 174.03(19) ?
    O7 V3 O13 . 2_655 80.37(16) ?
    O8 V3 O13 . 2_655 80.84(16) ?
    O5 V3 O13 . 2_655 75.79(15) ?
    O6 V3 O13 . 2_655 75.54(14) ?
    O2 V3 V2 . . 89.59(15) ?
    O7 V3 V2 . . 130.18(15) ?
    O8 V3 V2 . . 128.75(14) ?
    O5 V3 V2 . . 40.33(12) ?
    O6 V3 V2 . . 39.80(11) ?
    O13 V3 V2 2_655 . 84.45(10) ?
    O2 V3 V5 . 2_655 136.00(16) ?
    O7 V3 V5 . 2_655 83.42(14) ?
    O8 V3 V5 . 2_655 32.94(13) ?
    O5 V3 V5 . 2_655 124.28(12) ?
    O6 V3 V5 . 2_655 86.64(11) ?
    O13 V3 V5 2_655 2_655 48.52(10) ?
    V2 V3 V5 . 2_655 119.30(4) ?
    O9 V4 O10 . . 103.9(2) ?
    O9 V4 O7 . 2_655 102.1(2) ?
    O10 V4 O7 . 2_655 91.83(19) ?
    O9 V4 O3 . . 102.0(2) ?
    O10 V4 O3 . . 91.66(19) ?
    O7 V4 O3 2_655 . 154.04(18) ?
    O9 V4 O12 . . 99.6(2) ?
    O10 V4 O12 . . 156.56(19) ?
    O7 V4 O12 2_655 . 83.15(18) ?
    O3 V4 O12 . . 83.47(18) ?
    O9 V4 O13 . . 173.7(2) ?
    O10 V4 O13 . . 82.46(17) ?
    O7 V4 O13 2_655 . 77.84(16) ?
    O3 V4 O13 . . 77.14(16) ?
    O12 V4 O13 . . 74.10(15) ?
    O9 V4 V5 . . 137.1(2) ?
    O10 V4 V5 . . 33.24(13) ?
    O7 V4 V5 2_655 . 83.91(14) ?
    O3 V4 V5 . . 85.01(14) ?
    O12 V4 V5 . . 123.32(13) ?
    O13 V4 V5 . . 49.23(10) ?
    O9 V4 V6 . . 130.8(2) ?
    O10 V4 V6 . . 125.37(14) ?
    O7 V4 V6 2_655 . 78.24(13) ?
    O3 V4 V6 . . 78.80(13) ?
    O12 V4 V6 . . 31.19(12) ?
    O13 V4 V6 . . 42.92(10) ?
    V5 V4 V6 . . 92.13(4) ?
    O9 V4 V2 . . 134.20(18) ?
    O10 V4 V2 . . 81.76(13) ?
    O7 V4 V2 2_655 . 123.37(13) ?
    O3 V4 V2 . . 32.27(13) ?
    O12 V4 V2 . . 81.98(12) ?
    O13 V4 V2 . . 45.54(9) ?
    V5 V4 V2 . . 60.90(3) ?
    V6 V4 V2 . . 61.87(3) ?
    O11 V5 O10 . . 104.4(2) ?
    O11 V5 O8 . 2_655 102.2(2) ?
    O10 V5 O8 . 2_655 92.89(19) ?
    O11 V5 O4 . . 102.3(2) ?
    O10 V5 O4 . . 90.75(18) ?
    O8 V5 O4 2_655 . 153.41(18) ?
    O11 V5 O14 . . 99.8(2) ?
    O10 V5 O14 . . 155.59(19) ?
    O8 V5 O14 2_655 . 84.32(17) ?
    O4 V5 O14 . . 81.60(17) ?
    O11 V5 O13 . . 173.5(2) ?
    O10 V5 O13 . . 82.00(17) ?
    O8 V5 O13 2_655 . 78.27(16) ?
    O4 V5 O13 . . 76.18(15) ?
    O14 V5 O13 . . 73.68(14) ?
    O11 V5 V4 . . 137.74(19) ?
    O10 V5 V4 . . 33.29(14) ?
    O8 V5 V4 2_655 . 84.94(14) ?
    O4 V5 V4 . . 83.76(13) ?
    O14 V5 V4 . . 122.39(12) ?
    O13 V5 V4 . . 48.72(10) ?
    O11 V5 V7 . . 130.60(19) ?
    O10 V5 V7 . . 124.92(15) ?
    O8 V5 V7 2_655 . 78.82(13) ?
    O4 V5 V7 . . 77.53(12) ?
    O14 V5 V7 . . 30.77(11) ?
    O13 V5 V7 . . 42.93(10) ?
    V4 V5 V7 . . 91.65(4) ?
    O11 V5 V3 . 2_655 134.32(17) ?
    O10 V5 V3 . 2_655 82.75(14) ?
    O8 V5 V3 2_655 2_655 32.17(13) ?
    O4 V5 V3 . 2_655 122.87(13) ?
    O14 V5 V3 . 2_655 82.10(11) ?
    O13 V5 V3 . 2_655 46.69(9) ?
    V4 V5 V3 . 2_655 60.92(3) ?
    V7 V5 V3 . 2_655 61.69(3) ?
    O12 V6 O12 . 2_655 105.8(3) ?
    O12 V6 O5 . . 96.61(19) ?
    O12 V6 O5 2_655 . 97.57(19) ?
    O12 V6 O5 . 2_655 97.57(19) ?
    O12 V6 O5 2_655 2_655 96.61(19) ?
    O5 V6 O5 . 2_655 156.4(3) ?
    O12 V6 O13 . 2_655 166.4(2) ?
    O12 V6 O13 2_655 2_655 87.80(18) ?
    O5 V6 O13 . 2_655 81.29(16) ?
    O5 V6 O13 2_655 2_655 80.50(16) ?
    O12 V6 O13 . . 87.80(18) ?
    O12 V6 O13 2_655 . 166.4(2) ?
    O5 V6 O13 . . 80.50(16) ?
    O5 V6 O13 2_655 . 81.28(16) ?
    O13 V6 O13 2_655 . 78.6(2) ?
    O12 V6 V4 . . 39.04(15) ?
    O12 V6 V4 2_655 . 144.81(16) ?
    O5 V6 V4 . . 89.45(12) ?
    O5 V6 V4 2_655 . 89.76(12) ?
    O13 V6 V4 2_655 . 127.39(11) ?
    O13 V6 V4 . . 48.76(10) ?
    O12 V6 V4 . 2_655 144.81(16) ?
    O12 V6 V4 2_655 2_655 39.04(15) ?
    O5 V6 V4 . 2_655 89.76(12) ?
    O5 V6 V4 2_655 2_655 89.45(12) ?
    O13 V6 V4 2_655 2_655 48.76(10) ?
    O13 V6 V4 . 2_655 127.39(11) ?
    V4 V6 V4 . 2_655 176.15(6) ?
    O14 V7 O14 . 2_655 107.0(3) ?
    O14 V7 O6 . . 96.90(17) ?
    O14 V7 O6 2_655 . 96.68(17) ?
    O14 V7 O6 . 2_655 96.68(17) ?
    O14 V7 O6 2_655 2_655 96.90(17) ?
    O6 V7 O6 . 2_655 157.1(2) ?
    O14 V7 O13 . . 87.36(17) ?
    O14 V7 O13 2_655 . 165.61(18) ?
    O6 V7 O13 . . 80.91(15) ?
    O6 V7 O13 2_655 . 81.34(15) ?
    O14 V7 O13 . 2_655 165.61(18) ?
    O14 V7 O13 2_655 2_655 87.36(17) ?
    O6 V7 O13 . 2_655 81.34(15) ?
    O6 V7 O13 2_655 2_655 80.91(15) ?
    O13 V7 O13 . 2_655 78.3(2) ?
    O14 V7 V5 . . 38.37(13) ?
    O14 V7 V5 2_655 . 145.37(15) ?
    O6 V7 V5 . . 90.71(12) ?
    O6 V7 V5 2_655 . 88.54(12) ?
    O13 V7 V5 . . 49.01(11) ?
    O13 V7 V5 2_655 . 127.24(12) ?
    O14 V7 V5 . 2_655 145.37(15) ?
    O14 V7 V5 2_655 2_655 38.37(13) ?
    O6 V7 V5 . 2_655 88.54(12) ?
    O6 V7 V5 2_655 2_655 90.71(12) ?
    O13 V7 V5 . 2_655 127.24(12) ?
    O13 V7 V5 2_655 2_655 49.01(11) ?
    V5 V7 V5 . 2_655 176.25(7) ?
    V2 O1 Mn1 . . 176.3(3) ?
    V2 O3 V4 . . 113.8(2) ?
    V2 O4 V5 . . 114.3(2) ?
    V6 O5 V3 . . 107.48(19) ?
    V6 O5 V2 . . 106.83(18) ?
    V3 O5 V2 . . 100.27(18) ?
    V7 O6 V2 . . 106.44(18) ?
    V7 O6 V3 . . 107.72(18) ?
    V2 O6 V3 . . 100.38(17) ?
    V3 O7 V4 . 2_655 114.8(2) ?
    V3 O8 V5 . 2_655 114.9(2) ?
    V5 O10 V4 . . 113.5(2) ?
    V6 O12 V4 . . 109.8(2) ?
    V6 O13 V7 . . 101.55(16) ?
    V6 O13 V2 . . 94.78(15) ?
    V7 O13 V2 . . 93.34(14) ?
    V6 O13 V3 . 2_655 92.73(14) ?
    V7 O13 V3 . 2_655 93.04(14) ?
    V2 O13 V3 . 2_655 168.98(19) ?
    V6 O13 V4 . . 88.32(14) ?
    V7 O13 V4 . . 170.1(2) ?
    V2 O13 V4 . . 86.37(13) ?
    V3 O13 V4 2_655 . 85.80(13) ?
    V6 O13 V5 . . 170.2(2) ?
    V7 O13 V5 . . 88.06(14) ?
    V2 O13 V5 . . 86.46(13) ?
    V3 O13 V5 2_655 . 84.79(13) ?
    V4 O13 V5 . . 82.05(13) ?
    V7 O14 V5 . . 110.9(2) ?
    Mn1 O1W H1A . . 120(9) ?
    Mn1 O1W H1B . . 132(6) ?
    H1A O1W H1B . . 107(10) ?
    Mn1 O2W H2A . . 119(7) ?
    Mn1 O2W H2B . . 116(6) ?
    H2A O2W H2B . . 101(9) ?
    Mn1 O3W H3A . . 115(8) ?
    Mn1 O3W H3B . . 121(5) ?
    H3A O3W H3B . . 107(9) ?
    Mn1 O4W H4A . . 115(7) ?
    Mn1 O4W H4B . . 108(6) ?
    H4A O4W H4B . . 109(9) ?
    Mn1 O5W H5A . . 108(10) ?
    Mn1 O5W H5B . . 114(9) ?
    H5A O5W H5B . . 126(10) ?
    C10 N1 H1C . . 109.5 ?
    C10 N1 H1D . . 109.5 ?
    H1C N1 H1D . . 109.5 ?
    C10 N1 H1E . . 109.5 ?
    H1C N1 H1E . . 109.5 ?
    H1D N1 H1E . . 109.5 ?
    N1 C10 C12 . . 107.0(6) ?
    N1 C10 C11 . . 107.9(5) ?
    C12 C10 C11 . . 110.4(6) ?
    N1 C10 C13 . . 106.5(6) ?
    C12 C10 C13 . . 112.3(7) ?
    C11 C10 C13 . . 112.4(6) ?
    O11A C11 C10 . . 109.8(6) ?
    O11A C11 H11B . . 109.7 ?
    C10 C11 H11B . . 109.7 ?
    O11A C11 H11C . . 109.7 ?
    C10 C11 H11C . . 109.7 ?
    H11B C11 H11C . . 108.2 ?
    C11 O11A H11A . . 109.5 ?
    O12A C12 C10 . . 108.9(6) ?
    O12A C12 H12B . . 109.9 ?
    C10 C12 H12B . . 109.9 ?
    O12A C12 H12C . . 109.9 ?
    C10 C12 H12C . . 109.9 ?
    H12B C12 H12C . . 108.3 ?
    C12 O12A H12A . . 109.5 ?
    O13A C13 C10 . . 110.4(9) ?
    O13B C13 C10 . . 112.4(11) ?
    O13A C13 H13C . . 109.6 ?
    C10 C13 H13C . . 109.6 ?
    O13A C13 H13D . . 109.6 ?
    C10 C13 H13D . . 109.6 ?
    H13C C13 H13D . . 108.1 ?
    O13B C13 H13E . . 109.1 ?
    C10 C13 H13E . . 109.1 ?
    O13B C13 H13F . . 109.1 ?
    C10 C13 H13F . . 109.1 ?
    H13E C13 H13F . . 107.8 ?
    C13 O13A H13A . . 109.5 ?
    C13 O13B H13B . . 109.5 ?
    H6A O6WA H6B . . 110(4) ?
    H6C O6WB H6D . . 110(4) ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O1 V2 O3 V4 . . . . 174.8(2) ?
    O4 V2 O3 V4 . . . . 70.3(2) ?
    O6 V2 O3 V4 . . . . -34.8(6) ?
    O5 V2 O3 V4 . . . . -85.9(2) ?
    O13 V2 O3 V4 . . . . -10.5(2) ?
    V3 V2 O3 V4 . . . . -86.4(2) ?
    O9 V4 O3 V2 . . . . -176.2(3) ?
    O10 V4 O3 V2 . . . . -71.7(2) ?
    O7 V4 O3 V2 2_655 . . . 25.9(6) ?
    O12 V4 O3 V2 . . . . 85.3(2) ?
    O13 V4 O3 V2 . . . . 10.2(2) ?
    V5 V4 O3 V2 . . . . -39.1(2) ?
    V6 V4 O3 V2 . . . . 54.1(2) ?
    O1 V2 O4 V5 . . . . -176.1(2) ?
    O3 V2 O4 V5 . . . . -70.4(2) ?
    O6 V2 O4 V5 . . . . 85.9(2) ?
    O5 V2 O4 V5 . . . . 30.8(6) ?
    O13 V2 O4 V5 . . . . 9.9(2) ?
    V3 V2 O4 V5 . . . . 85.5(2) ?
    V4 V2 O4 V5 . . . . -38.54(19) ?
    O2 V3 O7 V4 . . . 2_655 -174.8(2) ?
    O8 V3 O7 V4 . . . 2_655 -69.9(2) ?
    O5 V3 O7 V4 . . . 2_655 85.5(2) ?
    O6 V3 O7 V4 . . . 2_655 28.6(6) ?
    O13 V3 O7 V4 2_655 . . 2_655 9.9(2) ?
    V2 V3 O7 V4 . . . 2_655 84.1(3) ?
    V5 V3 O7 V4 2_655 . . 2_655 -39.0(2) ?
    O2 V3 O8 V5 . . . 2_655 174.5(2) ?
    O7 V3 O8 V5 . . . 2_655 69.4(2) ?
    O5 V3 O8 V5 . . . 2_655 -31.4(6) ?
    O6 V3 O8 V5 . . . 2_655 -85.5(2) ?
    O13 V3 O8 V5 2_655 . . 2_655 -9.9(2) ?
    V2 V3 O8 V5 . . . 2_655 -85.1(2) ?
    O11 V5 O10 V4 . . . . 179.6(2) ?
    O8 V5 O10 V4 2_655 . . . 76.2(2) ?
    O4 V5 O10 V4 . . . . -77.4(2) ?
    O14 V5 O10 V4 . . . . -6.4(6) ?
    O13 V5 O10 V4 . . . . -1.5(2) ?
    V7 V5 O10 V4 . . . . -2.1(3) ?
    V3 V5 O10 V4 2_655 . . . 45.64(19) ?
    O9 V4 O10 V5 . . . . -178.9(3) ?
    O7 V4 O10 V5 2_655 . . . -76.0(2) ?
    O3 V4 O10 V5 . . . . 78.3(2) ?
    O12 V4 O10 V5 . . . . 1.0(6) ?
    O13 V4 O10 V5 . . . . 1.5(2) ?
    V6 V4 O10 V5 . . . . 0.9(3) ?
    V2 V4 O10 V5 . . . . 47.49(19) ?
    O12 V6 O12 V4 2_655 . . . -179.3(3) ?
    O5 V6 O12 V4 . . . . 80.9(2) ?
    O5 V6 O12 V4 2_655 . . . -80.2(2) ?
    O13 V6 O12 V4 2_655 . . . 0.7(9) ?
    O13 V6 O12 V4 . . . . 0.73(19) ?
    V4 V6 O12 V4 2_655 . . . 179.93(3) ?
    O14 V7 O14 V5 2_655 . . . 178.4(3) ?
    O6 V7 O14 V5 . . . . -82.4(2) ?
    O6 V7 O14 V5 2_655 . . . 79.1(2) ?
    O13 V7 O14 V5 . . . . -1.86(18) ?
    O13 V7 O14 V5 2_655 . . . -0.3(8) ?
    V5 V7 O14 V5 2_655 . . . -179.85(2) ?
    N1 C10 C11 O11A . . . . 54.2(7) ?
    C12 C10 C11 O11A . . . . 170.8(6) ?
    C13 C10 C11 O11A . . . . -63.0(8) ?
    N1 C10 C12 O12A . . . . -62.1(8) ?
    C11 C10 C12 O12A . . . . -179.3(6) ?
    C13 C10 C12 O12A . . . . 54.4(9) ?
    N1 C10 C13 O13A . . . . -175.5(8) ?
    C12 C10 C13 O13A . . . . 67.7(10) ?
    C11 C10 C13 O13A . . . . -57.5(10) ?
    N1 C10 C13 O13B . . . . -102.3(14) ?
    C12 C10 C13 O13B . . . . 140.9(14) ?
    C11 C10 C13 O13B . . . . 15.8(15) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1W H1A O14 3 0.70(12) 2.01(12) 2.703(7) 167(12)
    O1W H1B O12 3_545 0.70(7) 2.04(8) 2.727(8) 169(8)
    O2W H2A O5 4_645 0.60(7) 2.12(7) 2.716(7) 172(9)
    O2W H2B O12A . 0.87(10) 2.01(10) 2.858(8) 164(8)
    O3W H3A O7 4_645 0.70(9) 1.94(9) 2.636(7) 176(10)
    O3W H3B O11A 6_565 0.88(8) 1.91(8) 2.752(8) 160(7)
    O4W H4A O6 4_655 0.82(11) 1.90(11) 2.708(6) 167(10)
    O4W H4B O2W 4_655 0.76(9) 2.12(9) 2.871(7) 169(9)
    O5W H5A O8 4_655 0.55(11) 2.18(11) 2.725(10) 170(16)
    O5W H5B O13A 6_565 0.83(14) 2.12(13) 2.699(12) 127(12)
    O5W H5B O13B 6_565 0.83(14) 1.95(14) 2.77(2) 168(13)
    N1 H1C O3W 4_655 0.89 2.03 2.898(7) 164
    N1 H1D O2 . 0.89 2.31 3.032(7) 138
    N1 H1D O4W . 0.89 2.45 3.105(7) 130
    N1 H1E O4 4_655 0.89 1.91 2.787(6) 166
    C11 H11C O11 4_655 0.97 2.46 3.392(9) 160
    O11A H11A O6WA 4_655 0.82 1.96 2.758(12) 166
    O12A H12A O3 4_645 0.82 1.94 2.756(7) 174
    C13 H13E O2 . 0.97 2.40 3.280(10) 151
    O13B H13B O6WB 6_566 0.77 1.92 2.60(2) 148
    O6WA H6A O3 . 0.82(2) 2.23(9) 2.966(9) 150(15)
    O6WA H6B O10 5_665 0.82(2) 2.16(5) 2.952(10) 165(17)
    O6WB H6C O3 . 0.82(2) 2.03(13) 2.802(17)  16E1(3)
    O6WB H6D O10 5_665 0.82(2) 1.93(8) 2.720(19)  16E1(2)
data_global
_journal_date_recd_electronic     2014-12-07
_journal_date_accepted     2014-12-29
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2015
_journal_volume     71
_journal_issue      2
_journal_page_first     146
_journal_page_last     150
_journal_paper_category     GM
_journal_paper_doi     10.1107/S2056989014028230
_journal_coeditor_code     HB7337
_publ_contact_author_name     'David L. Hughes'
_publ_contact_author_address
;
School of Chemistry, University of East Anglia, Norwich NR4 7TJ, UK.
;
_publ_contact_author_email     'd.l.hughes@uea.ac.uk'
_publ_contact_author_fax     ?
_publ_contact_author_phone     '(+44) 1 603 593 186'
_publ_section_title
;
Crystal structures of two decavanadates(V) with pentaaquamanganese(II) pendant
groups: (NMe₄)₂[V₁₀O₂₈{Mn(H₂O)₅}₂]\\cdot5H₂O and
[NH₃C(CH₂OH)₃]₂[V₁₀O₂₈{Mn(H₂O)₅}₂]\\cdot2H₂O
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Franco, Maurício P.' .
;
Departamento de Química,
Universidade Federal do Paraná,
Centro Politécnico,
Jardim das Américas,
81530-900 Curitiba, PR, Brazil
;
    'Rüdiger, André Luis' .
;
Departamento de Química,
Universidade Federal do Paraná,
Centro Politécnico,
Jardim das Américas,
81530-900 Curitiba, PR, Brazil
;
    'Soares, Jaísa F.' .
;
Departamento de Química,
Universidade Federal do Paraná,
Centro Politécnico,
Jardim das Américas,
81530-900 Curitiba, PR, Brazil
;
    'Nunes, Giovana G.' .
;
Departamento de Química,
Universidade Federal do Paraná,
Centro Politécnico,
Jardim das Américas,
81530-900 Curitiba, PR, Brazil
;
    'Hughes, David L.' .
;
School of Chemistry, University of East Anglia, Norwich NR4 7TJ
England
;
_publ_section_synopsis
;
Two heterometallic decavanadate(V) hydrated salts with tetramethylammonium and
[tris(hydroxymethyl)methyl]ammonium counter-cations have been synthesized
under mild reaction conditions in an aqueous medium. Both polyanions present
two [Mn(OH₂)₅]²⁺ complex units bound to the decavanadate cluster through
oxide bridges.
;
