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###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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 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. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_global
_audit_creation_method     'by CrystalStructure 3.8'
_journal_date_recd_electronic     2007-11-16
_journal_date_accepted     2007-12-31
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2008
_journal_volume     64
_journal_issue      2
_journal_page_first     i11
_journal_page_last     i12
_journal_paper_category     QI
_journal_coeditor_code     SQ2003
_publ_contact_author_name     'Professor S. Ohkoshi'
_publ_contact_author_address
;
Department of Chemistry
School of Science
University of Tokyo
7-3-1 Hongo
Bunkyo-ku
Tokyo 113-0033
Japan
;
_publ_contact_author_email     ohkoshi@chem.s.u-tokyo.ac.jp
_publ_contact_author_fax     '+81-3-3812-1896'
_publ_contact_author_phone     '+81-3-5841-4331'
_publ_section_title
;
Poly[[hexa-μ-cyanido-manganese(II)iron(III)] pentahydrate]
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Matsuda, Tomoyuki'
;
Also at: Department of Applied Chemistry, School of Engineering,
University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan.
;
;
Department of Chemistry
School of Science
University of Tokyo
7-3-1 Hongo
Bunkyo-ku
Tokyo 113-0033
Japan
;
    'Tokoro, Hiroko'
;
Also at: PRESTO, JST, 4-1-8 Honcho Kawaguchi, Saitama 332-0012, Japan.
;
;
Department of Chemistry
School of Science
University of Tokyo
7-3-1 Hongo
Bunkyo-ku
Tokyo 113-0033
Japan
;
    'Shiro, Motoo' .
;
Rigaku Corporation
3-9-12 Matsubaracho
Akishima
Tokyo 196-8666
Japan
;
    'Hashimoto, Kazuhito' .
;
Department of Applied Chemistry
School of Engineering
University of Tokyo
7-3-1 Hongo
Bunkyo-ku
Tokyo 113-8656
Japan
;
    'Ohkoshi, Shin-ichi' .
;
Department of Chemistry
School of Science
University of Tokyo
7-3-1 Hongo
Bunkyo-ku
Tokyo 113-0033
Japan
;
data_I
_chemical_name_systematic
;
Poly[[hexa-μ-cyanido-manganese(II)iron(III)] pentahydrate]
;
_chemical_formula_moiety     'C4 Fe0.6667 Mn N4 , 5H2 O'
_chemical_formula_sum     'C4 H10 Fe0.6667 Mn N4 O5 '
_chemical_formula_iupac     'Mn [Fe (C N)6]0.6667 , 5H2 O'
_chemical_formula_weight     286.50
_chemical_melting_point     ?
_symmetry_cell_setting     cubic
_symmetry_space_group_name_H-M     'F m -3 m'
_symmetry_space_group_name_Hall     '-F 4 2 3'
loop_
    _symmetry_equiv_pos_site_id
    _symmetry_equiv_pos_as_xyz
    1 '+x,+y,+z'
    2 '+y,+z,+x'
    3 '+z,+x,+y'
    4 '+x,+y,-z'
    5 '+y,+z,-x'
    6 '+z,+x,-y'
    7 '+y,-z,-x'
    8 '+z,-x,-y'
    9 '-z,+x,-y'
    10 '-x,+y,-z'
    11 '-y,+z,-x'
    12 '+x,-y,-z'
    13 '+y,+x,+z'
    14 '+z,+y,+x'
    15 '+x,+z,+y'
    16 '+y,+x,-z'
    17 '+z,+y,-x'
    18 '+x,+z,-y'
    19 '-z,+y,-x'
    20 '-x,+z,-y'
    21 '+x,-z,-y'
    22 '+y,-x,-z'
    23 '+z,-y,-x'
    24 '-y,+x,-z'
    25 '-x,-y,-z'
    26 '-y,-z,-x'
    27 '-z,-x,-y'
    28 '-x,-y,+z'
    29 '-y,-z,+x'
    30 '-z,-x,+y'
    31 '-y,+z,+x'
    32 '-z,+x,+y'
    33 '+z,-x,+y'
    34 '+x,-y,+z'
    35 '+y,-z,+x'
    36 '-x,+y,+z'
    37 '-y,-x,-z'
    38 '-z,-y,-x'
    39 '-x,-z,-y'
    40 '-y,-x,+z'
    41 '-z,-y,+x'
    42 '-x,-z,+y'
    43 '+z,-y,+x'
    44 '+x,-z,+y'
    45 '-x,+z,+y'
    46 '-y,+x,+z'
    47 '-z,+y,+x'
    48 '+y,-x,+z'
    49 '+x,1/2+y,1/2+z'
    50 '+y,1/2+z,1/2+x'
    51 '+z,1/2+x,1/2+y'
    52 '+x,1/2+y,1/2-z'
    53 '+y,1/2+z,1/2-x'
    54 '+z,1/2+x,1/2-y'
    55 '+y,1/2-z,1/2-x'
    56 '+z,1/2-x,1/2-y'
    57 '-z,1/2+x,1/2-y'
    58 '-x,1/2+y,1/2-z'
    59 '-y,1/2+z,1/2-x'
    60 '+x,1/2-y,1/2-z'
    61 '+y,1/2+x,1/2+z'
    62 '+z,1/2+y,1/2+x'
    63 '+x,1/2+z,1/2+y'
    64 '+y,1/2+x,1/2-z'
    65 '+z,1/2+y,1/2-x'
    66 '+x,1/2+z,1/2-y'
    67 '-z,1/2+y,1/2-x'
    68 '-x,1/2+z,1/2-y'
    69 '+x,1/2-z,1/2-y'
    70 '+y,1/2-x,1/2-z'
    71 '+z,1/2-y,1/2-x'
    72 '-y,1/2+x,1/2-z'
    73 '-x,1/2-y,1/2-z'
    74 '-y,1/2-z,1/2-x'
    75 '-z,1/2-x,1/2-y'
    76 '-x,1/2-y,1/2+z'
    77 '-y,1/2-z,1/2+x'
    78 '-z,1/2-x,1/2+y'
    79 '-y,1/2+z,1/2+x'
    80 '-z,1/2+x,1/2+y'
    81 '+z,1/2-x,1/2+y'
    82 '+x,1/2-y,1/2+z'
    83 '+y,1/2-z,1/2+x'
    84 '-x,1/2+y,1/2+z'
    85 '-y,1/2-x,1/2-z'
    86 '-z,1/2-y,1/2-x'
    87 '-x,1/2-z,1/2-y'
    88 '-y,1/2-x,1/2+z'
    89 '-z,1/2-y,1/2+x'
    90 '-x,1/2-z,1/2+y'
    91 '+z,1/2-y,1/2+x'
    92 '+x,1/2-z,1/2+y'
    93 '-x,1/2+z,1/2+y'
    94 '-y,1/2+x,1/2+z'
    95 '-z,1/2+y,1/2+x'
    96 '+y,1/2-x,1/2+z'
    97 '1/2+x,+y,1/2+z'
    98 '1/2+y,+z,1/2+x'
    99 '1/2+z,+x,1/2+y'
    100 '1/2+x,+y,1/2-z'
    101 '1/2+y,+z,1/2-x'
    102 '1/2+z,+x,1/2-y'
    103 '1/2+y,-z,1/2-x'
    104 '1/2+z,-x,1/2-y'
    105 '1/2-z,+x,1/2-y'
    106 '1/2-x,+y,1/2-z'
    107 '1/2-y,+z,1/2-x'
    108 '1/2+x,-y,1/2-z'
    109 '1/2+y,+x,1/2+z'
    110 '1/2+z,+y,1/2+x'
    111 '1/2+x,+z,1/2+y'
    112 '1/2+y,+x,1/2-z'
    113 '1/2+z,+y,1/2-x'
    114 '1/2+x,+z,1/2-y'
    115 '1/2-z,+y,1/2-x'
    116 '1/2-x,+z,1/2-y'
    117 '1/2+x,-z,1/2-y'
    118 '1/2+y,-x,1/2-z'
    119 '1/2+z,-y,1/2-x'
    120 '1/2-y,+x,1/2-z'
    121 '1/2-x,-y,1/2-z'
    122 '1/2-y,-z,1/2-x'
    123 '1/2-z,-x,1/2-y'
    124 '1/2-x,-y,1/2+z'
    125 '1/2-y,-z,1/2+x'
    126 '1/2-z,-x,1/2+y'
    127 '1/2-y,+z,1/2+x'
    128 '1/2-z,+x,1/2+y'
    129 '1/2+z,-x,1/2+y'
    130 '1/2+x,-y,1/2+z'
    131 '1/2+y,-z,1/2+x'
    132 '1/2-x,+y,1/2+z'
    133 '1/2-y,-x,1/2-z'
    134 '1/2-z,-y,1/2-x'
    135 '1/2-x,-z,1/2-y'
    136 '1/2-y,-x,1/2+z'
    137 '1/2-z,-y,1/2+x'
    138 '1/2-x,-z,1/2+y'
    139 '1/2+z,-y,1/2+x'
    140 '1/2+x,-z,1/2+y'
    141 '1/2-x,+z,1/2+y'
    142 '1/2-y,+x,1/2+z'
    143 '1/2-z,+y,1/2+x'
    144 '1/2+y,-x,1/2+z'
    145 '1/2+x,1/2+y,+z'
    146 '1/2+y,1/2+z,+x'
    147 '1/2+z,1/2+x,+y'
    148 '1/2+x,1/2+y,-z'
    149 '1/2+y,1/2+z,-x'
    150 '1/2+z,1/2+x,-y'
    151 '1/2+y,1/2-z,-x'
    152 '1/2+z,1/2-x,-y'
    153 '1/2-z,1/2+x,-y'
    154 '1/2-x,1/2+y,-z'
    155 '1/2-y,1/2+z,-x'
    156 '1/2+x,1/2-y,-z'
    157 '1/2+y,1/2+x,+z'
    158 '1/2+z,1/2+y,+x'
    159 '1/2+x,1/2+z,+y'
    160 '1/2+y,1/2+x,-z'
    161 '1/2+z,1/2+y,-x'
    162 '1/2+x,1/2+z,-y'
    163 '1/2-z,1/2+y,-x'
    164 '1/2-x,1/2+z,-y'
    165 '1/2+x,1/2-z,-y'
    166 '1/2+y,1/2-x,-z'
    167 '1/2+z,1/2-y,-x'
    168 '1/2-y,1/2+x,-z'
    169 '1/2-x,1/2-y,-z'
    170 '1/2-y,1/2-z,-x'
    171 '1/2-z,1/2-x,-y'
    172 '1/2-x,1/2-y,+z'
    173 '1/2-y,1/2-z,+x'
    174 '1/2-z,1/2-x,+y'
    175 '1/2-y,1/2+z,+x'
    176 '1/2-z,1/2+x,+y'
    177 '1/2+z,1/2-x,+y'
    178 '1/2+x,1/2-y,+z'
    179 '1/2+y,1/2-z,+x'
    180 '1/2-x,1/2+y,+z'
    181 '1/2-y,1/2-x,-z'
    182 '1/2-z,1/2-y,-x'
    183 '1/2-x,1/2-z,-y'
    184 '1/2-y,1/2-x,+z'
    185 '1/2-z,1/2-y,+x'
    186 '1/2-x,1/2-z,+y'
    187 '1/2+z,1/2-y,+x'
    188 '1/2+x,1/2-z,+y'
    189 '1/2-x,1/2+z,+y'
    190 '1/2-y,1/2+x,+z'
    191 '1/2-z,1/2+y,+x'
    192 '1/2+y,1/2-x,+z'
_cell_length_a     10.3859(13)
_cell_length_b     10.3859(13)
_cell_length_c     10.3859(13)
_cell_angle_alpha     90.0000
_cell_angle_beta     90.0000
_cell_angle_gamma     90.0000
_cell_volume     1120.3(2)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     3216
_cell_measurement_theta_min     5.6
_cell_measurement_theta_max     45.1
_cell_measurement_temperature     90.0(10)
_exptl_crystal_description     block
_exptl_crystal_colour     brown
_exptl_crystal_size_max     0.25
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.15
_exptl_crystal_density_diffrn     1.699
_exptl_crystal_density_meas     1.640(10)
_exptl_crystal_density_method     'flotation in toluene and tetrabromomethane'
_exptl_crystal_F_000     577.68
_exptl_absorpt_coefficient_mu     2.017
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(ABSCOR; Higashi, 1995)'
_exptl_absorpt_correction_T_min     0.655
_exptl_absorpt_correction_T_max     0.739
_diffrn_radiation_type     'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type     'Rigaku R-AXIS RAPID'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     10.00
_diffrn_reflns_number     15777
_diffrn_reflns_av_R_equivalents     0.032
_diffrn_reflns_theta_max     45.06
_diffrn_reflns_theta_full     45.06
_diffrn_measured_fraction_theta_max     0.975
_diffrn_measured_fraction_theta_full     0.975
_diffrn_reflns_limit_h_min     -20
_diffrn_reflns_limit_h_max     20
_diffrn_reflns_limit_k_min     -20
_diffrn_reflns_limit_k_max     20
_diffrn_reflns_limit_l_min     -20
_diffrn_reflns_limit_l_max     20
_refine_special_details
;
    Refinement was performed using all reflections. The weighted
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total     278
_reflns_number_gt     268
_reflns_threshold_expression     F²>2σ(F²)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_R_factor_gt     0.0469
_refine_ls_wR_factor_ref     0.1355
_refine_ls_goodness_of_fit_ref     1.372
_refine_ls_number_reflns     278
_refine_ls_number_parameters     21
_refine_ls_hydrogen_treatment     undef
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
            'w = 1/[σ²(Fo²)+(0.0526P)²+2.6431P] where P=(Fo²+2Fc²)/3'
_refine_ls_shift/su_max     0.0000
_refine_diff_density_max     0.59
_refine_diff_density_min     -1.41
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_extinction_coef     0.002(2)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
    'H' 'H' 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
    'Fe' 'Fe' 0.346 0.844
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
    'Mn' 'Mn' 0.337 0.728
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
    'N' 'N' 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
    'O' 'O' 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
_computing_data_collection     'PROCESS-AUTO (Rigaku, 1998)'
_computing_cell_refinement     'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction     'CrystalStructure (Rigaku, 2007)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'VESTA (Momma & Izumi, 2006)'
_computing_publication_material     'CrystalStructure (Rigaku, 2007)'
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_disorder_assembly
    _atom_site_disorder_group
    Fe Fe1 0.5000 0.5000 0.0000 0.0176(2) Uani d SPU 0.6667 . .
    Mn Mn1 0.5000 0.5000 0.5000 0.0183(2) Uani d SU 1.00 . .
    O O1 0.4576(10) 0.4576(10) 0.2922(11) 0.036(3) Uani d SP 0.0833 A -1
    O O2 0.7500 0.2500 0.2500 0.096(6) Uani d SP 0.8333 A 2
    O O3 0.6550(16) 0.3450(16) 0.1550(16) 0.054(6) Uani d SP 0.1667 A 3
    N N1 0.5000 0.5000 0.2973(12) 0.086(3) Uani d SPU 0.6667 A 4
    C C1 0.5000 0.5000 0.1847(8) 0.064(2) Uani d SPU 0.6667 A 4
_geom_special_details
;
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Fe1 C1 . . 1.918(8) y
    Fe1 C1 . 4_555 1.918(8) n
    Fe1 C1 . 50_554 1.918(8) n
    Fe1 C1 . 55_555 1.918(8) n
    Fe1 C1 . 99_554 1.918(8) n
    Fe1 C1 . 105_555 1.918(8) n
    Mn1 N1 . . 2.105(13) y
    Mn1 N1 . 2_555 2.105(13) n
    Mn1 N1 . 3_555 2.105(13) n
    Mn1 N1 . 4_556 2.105(13) n
    Mn1 N1 . 7_566 2.105(13) n
    Mn1 N1 . 9_656 2.105(13) n
    N1 C1 . . 1.169(15) y
    Mn1 O1 . . 2.247(12) y
    Mn1 O1 . 2_555 2.247(12) n
    Mn1 O1 . 3_555 2.247(12) n
    Mn1 O1 . 4_556 2.247(12) n
    Mn1 O1 . 5_556 2.247(12) n
    Mn1 O1 . 6_556 2.247(12) n
    Mn1 O1 . 7_566 2.247(12) n
    Mn1 O1 . 8_566 2.247(12) n
    Mn1 O1 . 9_656 2.247(12) n
    Mn1 O1 . 10_656 2.247(12) n
    Mn1 O1 . 11_656 2.247(12) n
    Mn1 O1 . 12_566 2.247(12) n
    Mn1 O1 . 25_666 2.247(12) n
    Mn1 O1 . 26_666 2.247(12) n
    Mn1 O1 . 27_666 2.247(12) n
    Mn1 O1 . 28_665 2.247(12) n
    Mn1 O1 . 29_665 2.247(12) n
    Mn1 O1 . 30_665 2.247(12) n
    Mn1 O1 . 31_655 2.247(12) n
    Mn1 O1 . 32_655 2.247(12) n
    Mn1 O1 . 33_565 2.247(12) n
    Mn1 O1 . 34_565 2.247(12) n
    Mn1 O1 . 35_565 2.247(12) n
    Mn1 O1 . 36_655 2.247(12) n
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_2
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C1 Fe1 C1 . . 4_555 180.0000 n
    C1 Fe1 C1 . . 50_554 90.0000 n
    C1 Fe1 C1 . . 55_555 90.0000 n
    C1 Fe1 C1 . . 99_554 90.0000 n
    C1 Fe1 C1 . . 105_555 90.0000 n
    C1 Fe1 C1 4_555 . 50_554 90.0000 n
    C1 Fe1 C1 4_555 . 55_555 90.0000 n
    C1 Fe1 C1 4_555 . 99_554 90.0000 n
    C1 Fe1 C1 4_555 . 105_555 90.0000 n
    C1 Fe1 C1 50_554 . 55_555 180.0000 n
    C1 Fe1 C1 50_554 . 99_554 90.0000 n
    C1 Fe1 C1 50_554 . 105_555 90.0000 n
    C1 Fe1 C1 55_555 . 99_554 90.0000 n
    C1 Fe1 C1 55_555 . 105_555 90.0000 n
    C1 Fe1 C1 99_554 . 105_555 180.0000 n
    N1 Mn1 N1 . . 2_555 90.0000 n
    N1 Mn1 N1 . . 3_555 90.0000 n
    N1 Mn1 N1 . . 4_556 180.0000 n
    N1 Mn1 N1 . . 7_566 90.0000 n
    N1 Mn1 N1 . . 9_656 90.0000 n
    N1 Mn1 N1 2_555 . 3_555 90.0000 n
    N1 Mn1 N1 2_555 . 4_556 90.0000 n
    N1 Mn1 N1 2_555 . 7_566 180.0000 n
    N1 Mn1 N1 2_555 . 9_656 90.0000 n
    N1 Mn1 N1 3_555 . 4_556 90.0000 n
    N1 Mn1 N1 3_555 . 7_566 90.0000 n
    N1 Mn1 N1 3_555 . 9_656 180.0000 n
    N1 Mn1 N1 4_556 . 7_566 90.0000 n
    N1 Mn1 N1 4_556 . 9_656 90.0000 n
    N1 Mn1 N1 7_566 . 9_656 90.0000 n
    Mn1 N1 C1 . . . 180.0000 n
    Fe1 C1 N1 . . . 180.0000 n
    O1 Mn1 O1 . . 2_555 65.5(4) n
    O1 Mn1 O1 . . 3_555 65.5(4) n
    O1 Mn1 O1 . . 4_556 147.8(3) n
    O1 Mn1 O1 . . 5_556 87.8(4) y
    O1 Mn1 O1 . . 6_556 87.8(4) n
    O1 Mn1 O1 . . 7_566 109.8(4) n
    O1 Mn1 O1 . . 8_566 92.2(4) n
    O1 Mn1 O1 . . 9_656 109.8(4) n
    O1 Mn1 O1 . . 10_656 157.4(3) y
    O1 Mn1 O1 . . 11_656 92.2(4) n
    O1 Mn1 O1 . . 12_566 157.4(3) n
    O1 Mn1 O1 . . 25_666 180.0(5) y
    O1 Mn1 O1 . . 26_666 114.5(4) n
    O1 Mn1 O1 . . 27_666 114.5(4) n
    O1 Mn1 O1 . . 29_665 92.2(4) n
    O1 Mn1 O1 . . 30_665 92.2(4) n
    O1 Mn1 O1 . . 31_655 70.2(4) n
    O1 Mn1 O1 . . 32_655 87.8(4) n
    O1 Mn1 O1 . . 33_565 70.2(4) n
    O1 Mn1 O1 . . 35_565 87.8(4) n
    O1 Mn1 N1 . . 2_555 78.69(14) y
    O1 Mn1 N1 . . 3_555 78.19(14) n
    O1 Mn1 N1 . . 4_556 163.90(14) y
    O1 Mn1 N1 . . 7_566 101.31(14) n
    O1 Mn1 N1 . . 9_656 101.31(14) n
