##############################################################################
#                                                                            #
# 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_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Diaquatetrakis(1,3-di-4-pyridylpropane-κN)manganese(II) bis(perchlorate)
sesquihydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C52 H59 Mn N8 O2 2+, 2(Cl O4 -), 1.5(H2 O)'
_chemical_formula_sum     'C52 H62 Cl2 Mn N8 O11.5'
_chemical_formula_iupac     '[Mn (C13 H14 N2)4 (H2 O)2] (Cl O4)2, 1.5H2 O'
_chemical_formula_weight     1108.94
_chemical_melting_point     ?
_symmetry_cell_setting     orthorhombic
_symmetry_space_group_name_H-M     ' P b c a '
_symmetry_space_group_name_Hall     '-P 2ac 2ab'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    'x+1/2, -y+1/2, -z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, y, -z-1/2'
    '-x-1/2, y-1/2, z'
    'x, -y-1/2, z-1/2'
_cell_length_a     19.0755(10)
_cell_length_b     15.9409(9)
_cell_length_c     37.533(2)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     11412.9(11)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     8775
_cell_measurement_theta_min     2.33
_cell_measurement_theta_max     22.12
_cell_measurement_temperature     293(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.30
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     1.291
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     4648
_exptl_absorpt_coefficient_mu     0.389
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADBAS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.8923
_exptl_absorpt_correction_T_max     0.9622
_exptl_special_details     ?
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker APEXII CCD area-detector'
_diffrn_measurement_method     'ψ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     61756
_diffrn_reflns_av_R_equivalents     0.1134
_diffrn_reflns_av_sigmaI/netI     0.0687
_diffrn_reflns_theta_min     1.52
_diffrn_reflns_theta_max     25.01
_diffrn_reflns_theta_full     25.01
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -22
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -15
_diffrn_reflns_limit_k_max     18
_diffrn_reflns_limit_l_min     -44
_diffrn_reflns_limit_l_max     44
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     10065
_reflns_number_gt     6106
_reflns_threshold_expression     I>2.σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0903
_refine_ls_R_factor_gt     0.0568
_refine_ls_wR_factor_gt     0.1705
_refine_ls_wR_factor_ref     0.1875
_refine_ls_goodness_of_fit_ref     1.010
_refine_ls_restrained_S_all     1.010
_refine_ls_number_reflns     10065
_refine_ls_number_parameters     676
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.1063P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_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     0.659
_refine_diff_density_min     -0.474
_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'
    'Cl' 'Cl' 0.1484 0.1585
                         '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, 2008)'
_computing_cell_refinement     'SAINT (Bruker, 2008)'
_computing_data_reduction     'SAINT (Bruker, 2008)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'DIAMOND (Brandenburg, 2000)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
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_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C1 0.14223(18) 1.0314(2) 0.10488(10) 0.0597(10) Uani d . 1 1 . .
    H H1 0.1678 1.0694 0.0913 0.072 Uiso calc R 1 1 . .
    C C2 0.07095(19) 1.0255(3) 0.09937(11) 0.0655(11) Uani d . 1 1 . .
    H H2 0.0496 1.0588 0.0822 0.079 Uiso calc R 1 1 . .
    C C3 0.03127(18) 0.9707(2) 0.11906(9) 0.0527(9) Uani d . 1 1 . .
    C C4 0.06661(19) 0.9235(2) 0.14426(10) 0.0559(9) Uani d . 1 1 . .
    H H4 0.0422 0.8859 0.1586 0.067 Uiso calc R 1 1 . .
    C C5 0.13743(18) 0.9323(2) 0.14805(10) 0.0547(9) Uani d . 1 1 . .
    H H5 0.1599 0.8994 0.1651 0.066 Uiso calc R 1 1 . .
    C C6 -0.04637(19) 0.9611(3) 0.11315(11) 0.0678(11) Uani d . 1 1 . .
    H H6A -0.0687 1.0155 0.1154 0.081 Uiso calc R 1 1 . .
    H H6B -0.0656 0.9247 0.1314 0.081 Uiso calc R 1 1 . .
    C C7 -0.06281(19) 0.9247(2) 0.07667(11) 0.0665(11) Uani d . 1 1 . .
    H H7A -0.0451 0.9623 0.0584 0.080 Uiso calc R 1 1 . .
    H H7B -0.0389 0.8714 0.0741 0.080 Uiso calc R 1 1 . .
    C C8 -0.1395(2) 0.9121(3) 0.07118(12) 0.0882(15) Uani d . 1 1 . .
    H H8A -0.1623 0.9664 0.0723 0.106 Uiso calc R 1 1 . .
    H H8B -0.1573 0.8787 0.0908 0.106 Uiso calc R 1 1 . .
    C C9 -0.16058(19) 0.8698(2) 0.03651(10) 0.0606(10) Uani d . 1 1 . .
    C C10 -0.1205(2) 0.8723(3) 0.00598(12) 0.0782(13) Uani d . 1 1 . .
    H H10 -0.0778 0.9005 0.0061 0.094 Uiso calc R 1 1 . .
    C C11 -0.1432(2) 0.8335(3) -0.02461(12) 0.0821(13) Uani d . 1 1 . .
    H H11 -0.1145 0.8350 -0.0446 0.099 Uiso calc R 1 1 . .
    C C12 -0.2414(2) 0.7900(3) 0.00292(12) 0.0712(11) Uani d . 1 1 . .
    H H12 -0.2837 0.7610 0.0023 0.085 Uiso calc R 1 1 . .
    C C13 -0.22126(19) 0.8261(2) 0.03454(11) 0.0637(10) Uani d . 1 1 . .
    H H13 -0.2494 0.8204 0.0546 0.076 Uiso calc R 1 1 . .
    C C14 0.24921(19) 1.0441(2) 0.21075(9) 0.0538(9) Uani d . 1 1 . .
    H H14 0.2154 1.0733 0.1979 0.065 Uiso calc R 1 1 . .
    C C15 0.2552(2) 1.0593(2) 0.24677(10) 0.0580(9) Uani d . 1 1 . .
    H H15 0.2262 1.0987 0.2576 0.070 Uiso calc R 1 1 . .
    C C16 0.30397(19) 1.0168(2) 0.26680(9) 0.0544(9) Uani d . 1 1 . .
    C C17 0.3431(2) 0.9564(2) 0.24916(9) 0.0549(9) Uani d . 1 1 . .
    H H17 0.3747 0.9234 0.2618 0.066 Uiso calc R 1 1 . .
    C C18 0.3351(2) 0.9453(2) 0.21296(9) 0.0531(9) Uani d . 1 1 . .
    H H18 0.3628 0.9053 0.2016 0.064 Uiso calc R 1 1 . .
    C C19 0.3159(2) 1.0358(3) 0.30553(9) 0.0697(11) Uani d . 1 1 . .
    H H19A 0.3308 0.9852 0.3177 0.084 Uiso calc R 1 1 . .
    H H19B 0.2722 1.0541 0.3162 0.084 Uiso calc R 1 1 . .
    C C20 0.3716(2) 1.1043(3) 0.31056(10) 0.0715(12) Uani d . 1 1 . .
    H H20A 0.3563 1.1545 0.2982 0.086 Uiso calc R 1 1 . .
    H H20B 0.3749 1.1176 0.3357 0.086 Uiso calc R 1 1 . .
    C C21 0.4431(2) 1.0807(3) 0.29724(10) 0.0681(11) Uani d . 1 1 . .
    H H21A 0.4412 1.0766 0.2715 0.082 Uiso calc R 1 1 . .
    H H21B 0.4546 1.0255 0.3064 0.082 Uiso calc R 1 1 . .
    C C22 0.5018(2) 1.1405(2) 0.30718(10) 0.0579(9) Uani d . 1 1 . .
    C C23 0.5094(2) 1.1700(2) 0.34110(10) 0.0688(11) Uani d . 1 1 . .
    H H23 0.4770 1.1554 0.3585 0.083 Uiso calc R 1 1 . .
    C C24 0.5653(2) 1.2215(2) 0.34953(11) 0.0688(11) Uani d . 1 1 . .
    H H24 0.5698 1.2396 0.3730 0.083 Uiso calc R 1 1 . .
    C C25 0.6038(2) 1.2202(3) 0.29304(12) 0.0686(11) Uani d . 1 1 . .
    H H25 0.6352 1.2382 0.2757 0.082 Uiso calc R 1 1 . .
    C C26 0.55031(19) 1.1674(3) 0.28279(10) 0.0644(10) Uani d . 1 1 . .
    H H26 0.5471 1.1500 0.2592 0.077 Uiso calc R 1 1 . .
    C C27 0.45059(19) 1.0310(2) 0.15797(10) 0.0602(10) Uani d . 1 1 . .
    H H27 0.4270 1.0735 0.1699 0.072 Uiso calc R 1 1 . .
    C C28 0.5213(2) 1.0201(3) 0.16459(11) 0.0676(11) Uani d . 1 1 . .
    H H28 0.5440 1.0553 0.1806 0.081 Uiso calc R 1 1 . .
    C C29 0.55806(19) 0.9584(3) 0.14793(11) 0.0632(11) Uani d . 1 1 . .
    C C30 0.5216(2) 0.9099(3) 0.12349(11) 0.0653(11) Uani d . 1 1 . .
    H H30 0.5443 0.8676 0.1110 0.078 Uiso calc R 1 1 . .
    C C31 0.45089(19) 0.9250(2) 0.11788(10) 0.0574(9) Uani d . 1 1 . .
    H H31 0.4275 0.8926 0.1010 0.069 Uiso calc R 1 1 . .
    C C32 0.6336(2) 0.9401(3) 0.15606(12) 0.0893(15) Uani d . 1 1 . .
    H H32A 0.6571 0.9916 0.1628 0.107 Uiso calc R 1 1 . .
    H H32B 0.6564 0.9184 0.1349 0.107 Uiso calc R 1 1 . .
    C C33 0.6403(2) 0.8748(4) 0.18692(14) 0.126(2) Uani d . 1 1 . .
    H H33A 0.6192 0.8227 0.1789 0.151 Uiso calc R 1 1 . .
    H H33B 0.6898 0.8638 0.1906 0.151 Uiso calc R 1 1 . .
    C C34 0.6109(3) 0.8954(4) 0.21972(14) 0.1048(17) Uani d . 1 1 . .
    H H34 0.5860 0.9447 0.2236 0.126 Uiso calc R 1 1 . .
    C C35 0.6232(2) 0.8298(3) 0.24870(10) 0.0683(11) Uani d . 1 1 . .
    C C36 0.5681(2) 0.7938(2) 0.26690(11) 0.0674(11) Uani d . 1 1 . .
    H H36 0.5222 0.8053 0.2601 0.081 Uiso calc R 1 1 . .
    C C37 0.5809(2) 0.7406(2) 0.29507(10) 0.0597(10) Uani d . 1 1 . .
    H H37 0.5428 0.7171 0.3068 0.072 Uiso calc R 1 1 . .
    C C38 0.6976(2) 0.7557(2) 0.28853(10) 0.0579(10) Uani d . 1 1 . .
    H H38 0.7430 0.7433 0.2958 0.069 Uiso calc R 1 1 . .
    C C39 0.68936(19) 0.8087(3) 0.25999(11) 0.0680(11) Uani d . 1 1 . .
    H H39 0.7285 0.8302 0.2483 0.082 Uiso calc R 1 1 . .
    C C40 0.3504(2) 1.0414(2) 0.05622(10) 0.0584(9) Uani d . 1 1 . .
    H H40 0.3788 1.0747 0.0706 0.070 Uiso calc R 1 1 . .
    C C41 0.3601(2) 1.0443(2) 0.02028(10) 0.0649(10) Uani d . 1 1 . .
    H H41 0.3946 1.0792 0.0109 0.078 Uiso calc R 1 1 . .
    C C42 0.3198(2) 0.9966(2) -0.00230(9) 0.0570(10) Uani d . 1 1 . .
    C C43 0.2689(2) 0.9476(2) 0.01370(10) 0.0623(10) Uani d . 1 1 . .
    H H43 0.2391 0.9152 -0.0003 0.075 Uiso calc R 1 1 . .
    C C44 0.2621(2) 0.9468(2) 0.05040(9) 0.0560(9) Uani d . 1 1 . .
    H H44 0.2282 0.9123 0.0605 0.067 Uiso calc R 1 1 . .
    C C45 0.3314(3) 0.9972(3) -0.04187(9) 0.0790(13) Uani d . 1 1 . .
    H H45A 0.3347 1.0548 -0.0500 0.095 Uiso calc R 1 1 . .
    H H45B 0.2914 0.9716 -0.0535 0.095 Uiso calc R 1 1 . .
    C C46 0.3973(2) 0.9506(2) -0.05256(11) 0.0757(12) Uani d . 1 1 . .
    H H46A 0.4057 0.9598 -0.0777 0.091 Uiso calc R 1 1 . .
    H H46B 0.4367 0.9740 -0.0396 0.091 Uiso calc R 1 1 . .
    C C47 0.3943(2) 0.8574(2) -0.04568(11) 0.0706(11) Uani d . 1 1 . .
    H H47A 0.3559 0.8334 -0.0592 0.085 Uiso calc R 1 1 . .
    H H47B 0.3850 0.8478 -0.0206 0.085 Uiso calc R 1 1 . .
    C C48 0.46184(19) 0.8138(2) -0.05589(10) 0.0554(9) Uani d . 1 1 . .
    C C49 0.5060(2) 0.7804(2) -0.03079(10) 0.0636(10) Uani d . 1 1 . .
    H H49 0.4938 0.7823 -0.0068 0.076 Uiso calc R 1 1 . .
    C C50 0.5681(2) 0.7442(3) -0.04085(11) 0.0697(11) Uani d . 1 1 . .
    H H50 0.5966 0.7210 -0.0233 0.084 Uiso calc R 1 1 . .
    C C51 0.5469(2) 0.7728(2) -0.09890(11) 0.0647(10) Uani d . 1 1 . .
    H H51 0.5606 0.7709 -0.1227 0.078 Uiso calc R 1 1 . .
    C C52 0.4838(2) 0.8086(2) -0.09083(10) 0.0660(10) Uani d . 1 1 . .
    H H52 0.4555 0.8295 -0.1090 0.079 Uiso calc R 1 1 . .
    Cl Cl1 0.58949(8) 0.70331(11) 0.06219(3) 0.1041(5) Uani d . 1 1 . .
    Cl Cl2 0.86174(6) 0.74954(9) 0.18277(3) 0.0814(4) Uani d . 1 1 . .
    Mn Mn1 0.29477(3) 0.98755(3) 0.132673(12) 0.04169(17) Uani d . 1 1 . .
    N N1 0.17626(15) 0.98481(17) 0.12894(7) 0.0478(7) Uani d . 1 1 . .
    N N2 0.28962(14) 0.98929(16) 0.19338(7) 0.0477(7) Uani d . 1 1 . .
    N N3 0.41480(15) 0.98328(17) 0.13525(7) 0.0492(7) Uani d . 1 1 . .
    N N4 0.30208(15) 0.99315(16) 0.07197(7) 0.0487(7) Uani d . 1 1 . .
    N N5 -0.20398(19) 0.7941(2) -0.02681(9) 0.0730(9) Uani d . 1 1 . .
    N N6 0.61299(18) 1.24651(18) 0.32579(10) 0.0642(9) Uani d . 1 1 . .
    N N7 0.64522(17) 0.72116(18) 0.30637(8) 0.0565(8) Uani d . 1 1 . .
    N N8 0.58976(18) 0.7405(2) -0.07466(9) 0.0672(9) Uani d . 1 1 . .
    O O1 0.6203(5) 0.6491(4) 0.03846(15) 0.266(4) Uani d . 1 1 . .
    O O2 0.5196(3) 0.6942(5) 0.06484(15) 0.225(3) Uani d . 1 1 . .
    O O3 0.6027(2) 0.7825(3) 0.04889(12) 0.1479(16) Uani d . 1 1 . .
    O O4 0.6163(3) 0.6917(5) 0.09613(11) 0.230(3) Uani d . 1 1 . .
    O O5 0.8830(6) 0.6780(5) 0.1902(4) 0.386(7) Uani d . 1 1 . .
    O O6 0.8360(5) 0.7531(9) 0.1523(2) 0.402(8) Uani d . 1 1 . .
    O O7 0.9184(3) 0.7981(6) 0.1854(2) 0.285(4) Uani d . 1 1 . .
    O O8 0.8137(4) 0.7648(5) 0.2053(2) 0.283(4) Uani d . 1 1 . .
    O O1W 0.29594(11) 0.85152(13) 0.13508(6) 0.0529(6) Uani d . 1 1 . .
    H H1W 0.3101 0.8191 0.1501 0.063 Uiso d R 1 1 . .
    H H1WA 0.2837 0.8222 0.1189 0.063 Uiso d R 1 1 . .
    O O2W 0.29751(12) 1.12426(13) 0.13705(5) 0.0518(6) Uani d . 1 1 . .
    H H2W 0.3165 1.1558 0.1531 0.062 Uiso d R 1 1 . .
    H H2WA 0.2894 1.1621 0.1218 0.062 Uiso d R 1 1 . .
    O O3W 0.23088(12) 0.74826(13) 0.08930(6) 0.0526(6) Uani d . 1 1 . .
    H H3W 0.2567 0.7409 0.0700 0.063 Uiso d R 1 1 . .
    H H3WA 0.1848 0.7636 0.0858 0.063 Uiso d R 1 1 . .
    O O4W 0.7562(4) 0.6184(6) 0.1121(2) 0.130(3) Uani d P 0.50 1 . .
    H H4WA 0.7719 0.6680 0.1096 0.156 Uiso d PR 0.50 1 . .
    H H4W 0.7137 0.6182 0.1055 0.156 Uiso d PR 0.50 1 . .
_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
    C1 N1 . 1.337(4) ?
    C1 C2 . 1.379(5) ?
    C1 H1 . 0.9300 ?
    C2 C3 . 1.372(5) ?
    C2 H2 . 0.9300 ?
    C3 C4 . 1.383(5) ?
    C3 C6 . 1.505(5) ?
    C4 C5 . 1.366(5) ?
    C4 H4 . 0.9300 ?
    C5 N1 . 1.328(4) ?
    C5 H5 . 0.9300 ?
    C6 C7 . 1.520(5) ?
    C6 H6A . 0.9700 ?
    C6 H6B . 0.9700 ?
    C7 C8 . 1.491(5) ?
    C7 H7A . 0.9700 ?
    C7 H7B . 0.9700 ?
    C8 C9 . 1.520(5) ?
    C8 H8A . 0.9700 ?
    C8 H8B . 0.9700 ?
    C9 C13 . 1.353(5) ?
    C9 C10 . 1.378(5) ?
    C10 C11 . 1.374(6) ?
    C10 H10 . 0.9300 ?
    C11 N5 . 1.322(5) ?
    C11 H11 . 0.9300 ?
    C12 N5 . 1.326(5) ?
    C12 C13 . 1.374(5) ?
    C12 H12 . 0.9300 ?
    C13 H13 . 0.9300 ?
    C14 N2 . 1.335(4) ?
    C14 C15 . 1.379(5) ?
    C14 H14 . 0.9300 ?
    C15 C16 . 1.375(5) ?
    C15 H15 . 0.9300 ?
    C16 C17 . 1.386(5) ?
    C16 C19 . 1.502(5) ?
    C17 C18 . 1.378(4) ?
    C17 H17 . 0.9300 ?
    C18 N2 . 1.336(4) ?
    C18 H18 . 0.9300 ?
    C19 C20 . 1.534(5) ?
    C19 H19A . 0.9700 ?
    C19 H19B . 0.9700 ?
    C20 C21 . 1.500(6) ?
    C20 H20A . 0.9700 ?
    C20 H20B . 0.9700 ?
    C21 C22 . 1.518(5) ?
    C21 H21A . 0.9700 ?
    C21 H21B . 0.9700 ?
    C22 C23 . 1.365(5) ?
    C22 C26 . 1.371(5) ?
    C23 C24 . 1.381(5) ?
    C23 H23 . 0.9300 ?
    C24 N6 . 1.335(5) ?
    C24 H24 . 0.9300 ?
    C25 N6 . 1.311(5) ?
    C25 C26 . 1.376(5) ?
    C25 H25 . 0.9300 ?
    C26 H26 . 0.9300 ?
    C27 N3 . 1.331(4) ?
    C27 C28 . 1.383(5) ?
    C27 H27 . 0.9300 ?
    C28 C29 . 1.359(6) ?
    C28 H28 . 0.9300 ?
    C29 C30 . 1.387(6) ?
    C29 C32 . 1.502(5) ?
    C30 C31 . 1.386(5) ?
    C30 H30 . 0.9300 ?
    C31 N3 . 1.327(4) ?
    C31 H31 . 0.9300 ?
    C32 C33 . 1.563(6) ?
    C32 H32A . 0.9700 ?
    C32 H32B . 0.9700 ?
    C33 C34 . 1.392(7) ?
    C33 H33A . 0.9700 ?
    C33 H33B . 0.9700 ?
    C34 C35 . 1.527(6) ?
    C34 H34 . 0.9300 ?
    C35 C39 . 1.372(5) ?
    C35 C36 . 1.379(5) ?
    C36 C37 . 1.376(5) ?
    C36 H36 . 0.9300 ?
    C37 N7 . 1.334(5) ?
    C37 H37 . 0.9300 ?
    C38 N7 . 1.323(5) ?
    C38 C39 . 1.373(5) ?
    C38 H38 . 0.9300 ?
    C39 H39 . 0.9300 ?
    C40 N4 . 1.338(4) ?
    C40 C41 . 1.363(5) ?
    C40 H40 . 0.9300 ?
    C41 C42 . 1.374(5) ?
    C41 H41 . 0.9300 ?
    C42 C43 . 1.384(5) ?
    C42 C45 . 1.502(5) ?
    C43 C44 . 1.383(5) ?
    C43 H43 . 0.9300 ?
    C44 N4 . 1.335(4) ?
    C44 H44 . 0.9300 ?
    C45 C46 . 1.513(6) ?
    C45 H45A . 0.9700 ?
    C45 H45B . 0.9700 ?
    C46 C47 . 1.509(5) ?
    C46 H46A . 0.9700 ?
    C46 H46B . 0.9700 ?
    C47 C48 . 1.514(5) ?
    C47 H47A . 0.9700 ?
    C47 H47B . 0.9700 ?
    C48 C49 . 1.371(5) ?
    C48 C52 . 1.379(5) ?
    C49 C50 . 1.371(5) ?
    C49 H49 . 0.9300 ?
    C50 N8 . 1.335(5) ?
    C50 H50 . 0.9300 ?
    C51 N8 . 1.327(5) ?
    C51 C52 . 1.367(5) ?
    C51 H51 . 0.9300 ?
    C52 H52 . 0.9300 ?
    Cl1 O2 . 1.344(5) ?
    Cl1 O1 . 1.373(5) ?
    Cl1 O3 . 1.381(4) ?
    Cl1 O4 . 1.385(4) ?
    Cl2 O5 . 1.242(7) ?
    Cl2 O6 . 1.245(6) ?
    Cl2 O8 . 1.271(6) ?
    Cl2 O7 . 1.334(6) ?
    Mn1 O1W . 2.170(2) ?
    Mn1 O2W . 2.186(2) ?
    Mn1 N1 . 2.265(3) ?
    Mn1 N2 . 2.281(3) ?
    Mn1 N4 . 2.284(3) ?
    Mn1 N3 . 2.293(3) ?
    O1W H1W . 0.8104 ?
    O1W H1WA . 0.8011 ?
    O2W H2W . 0.8636 ?
    O2W H2WA . 0.8457 ?
    O3W H3W . 0.8847 ?
    O3W H3WA . 0.9219 ?
    O4W H4WA . 0.8497 ?
    O4W H4W . 0.8491 ?
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
    N1 C1 C2 . . 122.8(3) ?
    N1 C1 H1 . . 118.6 ?
    C2 C1 H1 . . 118.6 ?
    C3 C2 C1 . . 120.4(3) ?
    C3 C2 H2 . . 119.8 ?
    C1 C2 H2 . . 119.8 ?
    C2 C3 C4 . . 116.5(3) ?
    C2 C3 C6 . . 121.8(3) ?
    C4 C3 C6 . . 121.7(3) ?
    C5 C4 C3 . . 119.8(3) ?
    C5 C4 H4 . . 120.1 ?
    C3 C4 H4 . . 120.1 ?
    N1 C5 C4 . . 124.0(3) ?
    N1 C5 H5 . . 118.0 ?
    C4 C5 H5 . . 118.0 ?
    C3 C6 C7 . . 112.0(3) ?
    C3 C6 H6A . . 109.2 ?
    C7 C6 H6A . . 109.2 ?
    C3 C6 H6B . . 109.2 ?
    C7 C6 H6B . . 109.2 ?
    H6A C6 H6B . . 107.9 ?
    C8 C7 C6 . . 112.2(3) ?
    C8 C7 H7A . . 109.2 ?
    C6 C7 H7A . . 109.2 ?
    C8 C7 H7B . . 109.2 ?
    C6 C7 H7B . . 109.2 ?
    H7A C7 H7B . . 107.9 ?
    C7 C8 C9 . . 116.0(4) ?
    C7 C8 H8A . . 108.3 ?
    C9 C8 H8A . . 108.3 ?
    C7 C8 H8B . . 108.3 ?
    C9 C8 H8B . . 108.3 ?
    H8A C8 H8B . . 107.4 ?
    C13 C9 C10 . . 116.4(4) ?
    C13 C9 C8 . . 120.1(4) ?
    C10 C9 C8 . . 123.5(4) ?
    C11 C10 C9 . . 120.5(4) ?
    C11 C10 H10 . . 119.8 ?
    C9 C10 H10 . . 119.8 ?
    N5 C11 C10 . . 122.9(4) ?
    N5 C11 H11 . . 118.6 ?
    C10 C11 H11 . . 118.6 ?
    N5 C12 C13 . . 123.8(4) ?
    N5 C12 H12 . . 118.1 ?
    C13 C12 H12 . . 118.1 ?
    C9 C13 C12 . . 120.1(4) ?
    C9 C13 H13 . . 119.9 ?
    C12 C13 H13 . . 119.9 ?
    N2 C14 C15 . . 123.1(3) ?
    N2 C14 H14 . . 118.4 ?
    C15 C14 H14 . . 118.4 ?
    C16 C15 C14 . . 120.3(4) ?
    C16 C15 H15 . . 119.8 ?
    C14 C15 H15 . . 119.8 ?
    C15 C16 C17 . . 116.5(3) ?
    C15 C16 C19 . . 122.1(4) ?
    C17 C16 C19 . . 121.4(4) ?
    C18 C17 C16 . . 120.1(3) ?
    C18 C17 H17 . . 120.0 ?
    C16 C17 H17 . . 120.0 ?
    N2 C18 C17 . . 123.1(3) ?
    N2 C18 H18 . . 118.5 ?
    C17 C18 H18 . . 118.5 ?
    C16 C19 C20 . . 111.6(3) ?
    C16 C19 H19A . . 109.3 ?
    C20 C19 H19A . . 109.3 ?
    C16 C19 H19B . . 109.3 ?
    C20 C19 H19B . . 109.3 ?
    H19A C19 H19B . . 108.0 ?
    C21 C20 C19 . . 114.2(4) ?
    C21 C20 H20A . . 108.7 ?
    C19 C20 H20A . . 108.7 ?
    C21 C20 H20B . . 108.7 ?
    C19 C20 H20B . . 108.7 ?
    H20A C20 H20B . . 107.6 ?
    C20 C21 C22 . . 115.6(3) ?
    C20 C21 H21A . . 108.4 ?
    C22 C21 H21A . . 108.4 ?
    C20 C21 H21B . . 108.4 ?
    C22 C21 H21B . . 108.4 ?
    H21A C21 H21B . . 107.4 ?
    C23 C22 C26 . . 116.3(3) ?
    C23 C22 C21 . . 121.6(3) ?
    C26 C22 C21 . . 122.1(3) ?
    C22 C23 C24 . . 120.0(4) ?
    C22 C23 H23 . . 120.0 ?
    C24 C23 H23 . . 120.0 ?
    N6 C24 C23 . . 123.4(4) ?
    N6 C24 H24 . . 118.3 ?
    C23 C24 H24 . . 118.3 ?
    N6 C25 C26 . . 123.9(4) ?
    N6 C25 H25 . . 118.1 ?
    C26 C25 H25 . . 118.1 ?
    C22 C26 C25 . . 120.3(4) ?
    C22 C26 H26 . . 119.8 ?
    C25 C26 H26 . . 119.8 ?
    N3 C27 C28 . . 122.9(4) ?
    N3 C27 H27 . . 118.5 ?
    C28 C27 H27 . . 118.5 ?
    C29 C28 C27 . . 120.7(4) ?
    C29 C28 H28 . . 119.6 ?
    C27 C28 H28 . . 119.6 ?
    C28 C29 C30 . . 116.7(4) ?
    C28 C29 C32 . . 122.8(4) ?
    C30 C29 C32 . . 120.5(4) ?
    C31 C30 C29 . . 119.4(4) ?
    C31 C30 H30 . . 120.3 ?
    C29 C30 H30 . . 120.3 ?
    N3 C31 C30 . . 123.5(4) ?
    N3 C31 H31 . . 118.2 ?
    C30 C31 H31 . . 118.2 ?
    C29 C32 C33 . . 111.0(3) ?
    C29 C32 H32A . . 109.4 ?
    C33 C32 H32A . . 109.4 ?
    C29 C32 H32B . . 109.4 ?
    C33 C32 H32B . . 109.4 ?
    H32A C32 H32B . . 108.0 ?
    C34 C33 C32 . . 117.7(5) ?
    C34 C33 H33A . . 107.9 ?
    C32 C33 H33A . . 107.9 ?
    C34 C33 H33B . . 107.9 ?
    C32 C33 H33B . . 107.9 ?
    H33A C33 H33B . . 107.2 ?
    C33 C34 C35 . . 114.0(5) ?
    C33 C34 H34 . . 123.0 ?
    C35 C34 H34 . . 123.0 ?
    C39 C35 C36 . . 116.5(3) ?
    C39 C35 C34 . . 121.9(4) ?
    C36 C35 C34 . . 121.4(4) ?
    C37 C36 C35 . . 120.1(4) ?
    C37 C36 H36 . . 120.0 ?
    C35 C36 H36 . . 120.0 ?
    N7 C37 C36 . . 123.4(4) ?
    N7 C37 H37 . . 118.3 ?
    C36 C37 H37 . . 118.3 ?
    N7 C38 C39 . . 124.4(3) ?
    N7 C38 H38 . . 117.8 ?
    C39 C38 H38 . . 117.8 ?
    C35 C39 C38 . . 119.8(4) ?
    C35 C39 H39 . . 120.1 ?
    C38 C39 H39 . . 120.1 ?
    N4 C40 C41 . . 123.5(4) ?
    N4 C40 H40 . . 118.3 ?
    C41 C40 H40 . . 118.3 ?
    C40 C41 C42 . . 121.0(4) ?
    C40 C41 H41 . . 119.5 ?
    C42 C41 H41 . . 119.5 ?
    C41 C42 C43 . . 116.0(3) ?
    C41 C42 C45 . . 121.6(4) ?
    C43 C42 C45 . . 122.4(4) ?
    C44 C43 C42 . . 120.2(3) ?
    C44 C43 H43 . . 119.9 ?
    C42 C43 H43 . . 119.9 ?
    N4 C44 C43 . . 123.1(3) ?
    N4 C44 H44 . . 118.5 ?
    C43 C44 H44 . . 118.5 ?
    C42 C45 C46 . . 112.5(3) ?
    C42 C45 H45A . . 109.1 ?
    C46 C45 H45A . . 109.1 ?
    C42 C45 H45B . . 109.1 ?
    C46 C45 H45B . . 109.1 ?
    H45A C45 H45B . . 107.8 ?
    C47 C46 C45 . . 113.9(3) ?
    C47 C46 H46A . . 108.8 ?
    C45 C46 H46A . . 108.8 ?
    C47 C46 H46B . . 108.8 ?
    C45 C46 H46B . . 108.8 ?
    H46A C46 H46B . . 107.7 ?
    C46 C47 C48 . . 112.2(3) ?
    C46 C47 H47A . . 109.2 ?
    C48 C47 H47A . . 109.2 ?
    C46 C47 H47B . . 109.2 ?
    C48 C47 H47B . . 109.2 ?
    H47A C47 H47B . . 107.9 ?
    C49 C48 C52 . . 116.3(4) ?
    C49 C48 C47 . . 121.8(3) ?
    C52 C48 C47 . . 121.8(4) ?
    C50 C49 C48 . . 120.4(4) ?
    C50 C49 H49 . . 119.8 ?
    C48 C49 H49 . . 119.8 ?
    N8 C50 C49 . . 123.2(4) ?
    N8 C50 H50 . . 118.4 ?
    C49 C50 H50 . . 118.4 ?
    N8 C51 C52 . . 123.5(4) ?
    N8 C51 H51 . . 118.2 ?
    C52 C51 H51 . . 118.2 ?
    C51 C52 C48 . . 120.2(4) ?
    C51 C52 H52 . . 119.9 ?
    C48 C52 H52 . . 119.9 ?
    O2 Cl1 O1 . . 113.8(5) ?
    O2 Cl1 O3 . . 107.9(4) ?
    O1 Cl1 O3 . . 105.3(3) ?
    O2 Cl1 O4 . . 106.5(3) ?
    O1 Cl1 O4 . . 110.8(4) ?
    O3 Cl1 O4 . . 112.7(4) ?
    O5 Cl2 O6 . . 112.1(8) ?
    O5 Cl2 O8 . . 105.2(7) ?
    O6 Cl2 O8 . . 108.5(7) ?
    O5 Cl2 O7 . . 104.6(6) ?
    O6 Cl2 O7 . . 111.2(6) ?
    O8 Cl2 O7 . . 115.0(6) ?
    O1W Mn1 O2W . . 173.02(8) ?
    O1W Mn1 N1 . . 89.63(9) ?
    O2W Mn1 N1 . . 92.74(9) ?
    O1W Mn1 N2 . . 88.34(9) ?
    O2W Mn1 N2 . . 85.05(9) ?
    N1 Mn1 N2 . . 91.08(10) ?
    O1W Mn1 N4 . . 94.59(9) ?
    O2W Mn1 N4 . . 91.98(9) ?
    N1 Mn1 N4 . . 90.00(10) ?
    N2 Mn1 N4 . . 176.89(10) ?
    O1W Mn1 N3 . . 87.61(9) ?
    O2W Mn1 N3 . . 90.15(9) ?
    N1 Mn1 N3 . . 176.97(10) ?
    N2 Mn1 N3 . . 90.08(10) ?
    N4 Mn1 N3 . . 88.98(10) ?
    C5 N1 C1 . . 116.4(3) ?
    C5 N1 Mn1 . . 122.4(2) ?
    C1 N1 Mn1 . . 121.0(2) ?
    C14 N2 C18 . . 116.7(3) ?
    C14 N2 Mn1 . . 121.4(2) ?
    C18 N2 Mn1 . . 121.0(2) ?
    C31 N3 C27 . . 116.6(3) ?
    C31 N3 Mn1 . . 121.2(2) ?
    C27 N3 Mn1 . . 121.5(2) ?
    C44 N4 C40 . . 116.3(3) ?
    C44 N4 Mn1 . . 123.3(2) ?
    C40 N4 Mn1 . . 120.4(2) ?
    C11 N5 C12 . . 116.3(4) ?
    C25 N6 C24 . . 116.0(3) ?
    C38 N7 C37 . . 115.9(3) ?
    C51 N8 C50 . . 116.4(4) ?
    Mn1 O1W H1W . . 132.0 ?
    Mn1 O1W H1WA . . 123.2 ?
    H1W O1W H1WA . . 104.7 ?
    Mn1 O2W H2W . . 130.0 ?
    Mn1 O2W H2WA . . 130.9 ?
    H2W O2W H2WA . . 97.7 ?
    H3W O3W H3WA . . 116.6 ?
    H4WA O4W H4W . . 108.0 ?
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
    N1 C1 C2 C3 . . . . 0.5(6) ?
    C1 C2 C3 C4 . . . . 0.4(6) ?
    C1 C2 C3 C6 . . . . -178.5(4) ?
    C2 C3 C4 C5 . . . . -0.9(5) ?
    C6 C3 C4 C5 . . . . 178.0(3) ?
    C3 C4 C5 N1 . . . . 0.6(6) ?
    C2 C3 C6 C7 . . . . 65.5(5) ?
    C4 C3 C6 C7 . . . . -113.3(4) ?
    C3 C6 C7 C8 . . . . 177.8(4) ?
    C6 C7 C8 C9 . . . . -175.6(4) ?
    C7 C8 C9 C13 . . . . 153.6(4) ?
    C7 C8 C9 C10 . . . . -25.7(6) ?
    C13 C9 C10 C11 . . . . 1.4(6) ?
    C8 C9 C10 C11 . . . . -179.2(4) ?
    C9 C10 C11 N5 . . . . 1.7(7) ?
    C10 C9 C13 C12 . . . . -2.5(6) ?
    C8 C9 C13 C12 . . . . 178.0(4) ?
    N5 C12 C13 C9 . . . . 0.9(7) ?
    N2 C14 C15 C16 . . . . -0.8(5) ?
    C14 C15 C16 C17 . . . . -2.9(5) ?
    C14 C15 C16 C19 . . . . 175.5(3) ?
    C15 C16 C17 C18 . . . . 4.0(5) ?
    C19 C16 C17 C18 . . . . -174.4(3) ?
    C16 C17 C18 N2 . . . . -1.5(5) ?
    C15 C16 C19 C20 . . . . -89.2(4) ?
    C17 C16 C19 C20 . . . . 89.1(5) ?
    C16 C19 C20 C21 . . . . -62.9(5) ?
    C19 C20 C21 C22 . . . . -170.3(3) ?
    C20 C21 C22 C23 . . . . 46.7(6) ?
    C20 C21 C22 C26 . . . . -133.8(4) ?
    C26 C22 C23 C24 . . . . -2.3(6) ?
    C21 C22 C23 C24 . . . . 177.2(4) ?
    C22 C23 C24 N6 . . . . 1.5(6) ?
    C23 C22 C26 C25 . . . . 1.0(6) ?
    C21 C22 C26 C25 . . . . -178.5(4) ?
    N6 C25 C26 C22 . . . . 1.3(6) ?
    N3 C27 C28 C29 . . . . -0.4(6) ?
    C27 C28 C29 C30 . . . . 2.1(5) ?
    C27 C28 C29 C32 . . . . -175.6(3) ?
    C28 C29 C30 C31 . . . . -1.3(5) ?
    C32 C29 C30 C31 . . . . 176.5(3) ?
    C29 C30 C31 N3 . . . . -1.3(6) ?
    C28 C29 C32 C33 . . . . 89.2(6) ?
    C30 C29 C32 C33 . . . . -88.4(5) ?
    C29 C32 C33 C34 . . . . -59.5(7) ?
    C32 C33 C34 C35 . . . . -177.1(4) ?
    C33 C34 C35 C39 . . . . 61.5(7) ?
    C33 C34 C35 C36 . . . . -123.9(5) ?
    C39 C35 C36 C37 . . . . 0.9(6) ?
    C34 C35 C36 C37 . . . . -174.0(4) ?
    C35 C36 C37 N7 . . . . 0.1(6) ?
    C36 C35 C39 C38 . . . . -1.4(6) ?
    C34 C35 C39 C38 . . . . 173.5(4) ?
    N7 C38 C39 C35 . . . . 1.1(7) ?
    N4 C40 C41 C42 . . . . 0.0(6) ?
    C40 C41 C42 C43 . . . . 1.1(5) ?
    C40 C41 C42 C45 . . . . -178.1(4) ?
    C41 C42 C43 C44 . . . . -1.8(5) ?
    C45 C42 C43 C44 . . . . 177.4(3) ?
    C42 C43 C44 N4 . . . . 1.5(6) ?
    C41 C42 C45 C46 . . . . 73.0(5) ?
    C43 C42 C45 C46 . . . . -106.1(5) ?
    C42 C45 C46 C47 . . . . 66.6(5) ?
    C45 C46 C47 C48 . . . . -178.6(4) ?
    C46 C47 C48 C49 . . . . 110.6(4) ?
    C46 C47 C48 C52 . . . . -66.5(5) ?
    C52 C48 C49 C50 . . . . -0.1(5) ?
    C47 C48 C49 C50 . . . . -177.4(4) ?
    C48 C49 C50 N8 . . . . 1.3(6) ?
    N8 C51 C52 C48 . . . . 1.0(6) ?
    C49 C48 C52 C51 . . . . -1.0(5) ?
    C47 C48 C52 C51 . . . . 176.3(4) ?
    C4 C5 N1 C1 . . . . 0.3(5) ?
    C4 C5 N1 Mn1 . . . . -173.9(3) ?
    C2 C1 N1 C5 . . . . -0.9(5) ?
    C2 C1 N1 Mn1 . . . . 173.5(3) ?
    O1W Mn1 N1 C5 . . . . 40.4(3) ?
    O2W Mn1 N1 C5 . . . . -133.0(3) ?
    N2 Mn1 N1 C5 . . . . -47.9(3) ?
    N3 Mn1 N1 C5 . . . . 64.6(19) ?
    O1W Mn1 N1 C1 . . . . -133.6(3) ?
    O2W Mn1 N1 C1 . . . . 53.0(3) ?
    N2 Mn1 N1 C1 . . . . 138.1(3) ?
    N4 Mn1 N1 C1 . . . . -39.0(3) ?
    C15 C14 N2 C18 . . . . 3.3(5) ?
    C15 C14 N2 Mn1 . . . . -166.0(3) ?
    C17 C18 N2 C14 . . . . -2.2(5) ?
    C17 C18 N2 Mn1 . . . . 167.2(3) ?
    O1W Mn1 N2 C14 . . . . -140.1(3) ?
    O2W Mn1 N2 C14 . . . . 42.2(2) ?
    N1 Mn1 N2 C14 . . . . -50.5(3) ?
    N3 Mn1 N2 C14 . . . . 132.3(3) ?
    O1W Mn1 N2 C18 . . . . 51.0(2) ?
    O2W Mn1 N2 C18 . . . . -126.7(2) ?
    N1 Mn1 N2 C18 . . . . 140.6(2) ?
    N3 Mn1 N2 C18 . . . . -36.6(2) ?
    C30 C31 N3 C27 . . . . 2.9(5) ?
    C30 C31 N3 Mn1 . . . . -167.8(3) ?
    C28 C27 N3 C31 . . . . -2.1(5) ?
    C28 C27 N3 Mn1 . . . . 168.6(3) ?
    O1W Mn1 N3 C31 . . . . 39.2(3) ?
    O2W Mn1 N3 C31 . . . . -147.4(3) ?
    N2 Mn1 N3 C31 . . . . 127.5(3) ?
    N4 Mn1 N3 C31 . . . . -55.4(3) ?
    O1W Mn1 N3 C27 . . . . -131.1(3) ?
    O2W Mn1 N3 C27 . . . . 42.3(3) ?
    N2 Mn1 N3 C27 . . . . -42.8(3) ?
    N4 Mn1 N3 C27 . . . . 134.2(3) ?
    C43 C44 N4 C40 . . . . -0.3(5) ?
    C43 C44 N4 Mn1 . . . . -177.0(3) ?
    C41 C40 N4 C44 . . . . -0.4(5) ?
    C41 C40 N4 Mn1 . . . . 176.4(3) ?
    O1W Mn1 N4 C44 . . . . 47.2(3) ?
    O2W Mn1 N4 C44 . . . . -135.1(3) ?
    N1 Mn1 N4 C44 . . . . -42.4(3) ?
    N3 Mn1 N4 C44 . . . . 134.8(3) ?
    O1W Mn1 N4 C40 . . . . -129.3(3) ?
    O2W Mn1 N4 C40 . . . . 48.3(3) ?
    N2 Mn1 N4 C40 . . . . 31(2) ?
    N3 Mn1 N4 C40 . . . . -41.8(3) ?
    C10 C11 N5 C12 . . . . -3.3(7) ?
    C13 C12 N5 C11 . . . . 2.1(6) ?
    C26 C25 N6 C24 . . . . -2.2(6) ?
    C23 C24 N6 C25 . . . . 0.8(6) ?
    C39 C38 N7 C37 . . . . 0.0(6) ?
    C36 C37 N7 C38 . . . . -0.6(6) ?
    C52 C51 N8 C50 . . . . 0.2(6) ?
    C49 C50 N8 C51 . . . . -1.3(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
    O3W H3WA N8 3_465 0.92 1.86 2.753(4) 162.1
    O3W H3W N5 3_565 0.88 1.87 2.738(4) 166.7
    O2W H2WA O3W 7_665 0.85 1.88 2.723(3) 177.7
    O2W H2W N7 4_655 0.86 1.98 2.844(4) 174.1
    O1W H1W N6 4_645 0.81 2.08 2.824(4) 153.3
    O4W H4W O4 . 0.85 2.22 2.975(9) 147.4
    O1W H1WA O3W . 0.80 1.91 2.684(3) 162.9
    O4W H4WA O6 . 0.85 2.43 3.035(14) 128.7
    C23 H23 O4 4_655 0.93 2.53 3.379(6) 152.0
    C28 H28 O5 7_765 0.93 2.43 3.255(11) 148.0
    C39 H39 O8 . 0.93 2.52 3.214(9) 132.0
data_global
_journal_date_recd_electronic     2011-09-30
_journal_date_accepted     2011-10-08
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue     11
_journal_page_first     m1543
_journal_page_last     m1543
_journal_paper_category     QM
_journal_coeditor_code     PV2456
_publ_contact_author_name     'Hai-Wei Kuai'
_publ_contact_author_address
;
  Hai-Wei Kuai
  Faculty of life science and chemical engineering,
  Huaiyin Institute of technology, Huaian 223003, People's Republic of China
;
_publ_contact_author_email     hyitshy@126.com
_publ_contact_author_fax     86-517-83559044
_publ_contact_author_phone     86-517-83559044
_publ_section_title
;
Diaquatetrakis(1,3-di-4-pyridylpropane-κN)manganese(II) bis(perchlorate)
sesquihydrate
;
loop_
    _publ_author_name
    _publ_author_address
    'Hai-Wei Kuai'
;
Faculty of Life Science and Chemical Engineering,
Huaiyin Institute of Technology, Huaian 223003, People's Republic of China
;
    'Xiao-Chun Cheng'
;
Faculty of Life Science and Chemical Engineering,
Huaiyin Institute of Technology, Huaian 223003, People's Republic of China
;
