#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/32/4503204.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4503204
loop_
_publ_author_name
'Ren, Peng'
'Shi, Wei'
'Cheng, Peng'
_publ_section_title
;
 Synthesis and Characterization of Three-Dimensional 3d−3d and
 3d−4f Heterometallic Coordination Polymers with High Thermal
 Stability
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1097
_journal_paper_doi               10.1021/cg700740m
_journal_volume                  8
_journal_year                    2008
_chemical_formula_sum            'C64 H47 Cl0 Li0 Mn1.5 N4 O21 Zn3'
_chemical_formula_weight         1486.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.01(3)
_cell_angle_beta                 93.54(3)
_cell_angle_gamma                106.90(3)
_cell_formula_units_Z            2
_cell_length_a                   10.426(2)
_cell_length_b                   14.962(3)
_cell_length_c                   21.102(4)
_cell_measurement_reflns_used    4843
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8525
_cell_measurement_theta_min      1.4519
_cell_volume                     3079.6(12)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'riagku saturn'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0624
_diffrn_reflns_av_sigmaI/netI    0.1193
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19087
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.45
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.535
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8209
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1509
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.796
_refine_diff_density_min         -1.191
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     845
_refine_ls_number_reflns         10807
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.1153
_refine_ls_R_factor_gt           0.0687
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0681P)²+4.6184P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1487
_refine_ls_wR_factor_ref         0.1824
_reflns_number_gt                6807
_reflns_number_total             10807
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg700740m-file002.cif
_cod_data_source_block           r70320b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3079.6(10)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C64 H47 Cl0 Li0 Mn1.50 N4 O21 Zn3'
_cod_database_code               4503204
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.58434(8) 0.01513(6) 0.26206(4) 0.0315(2) Uani 1 1 d .
Zn3 Zn 0.82690(8) 0.67666(5) 0.49701(4) 0.0300(2) Uani 1 1 d .
Mn3 Mn 0.76349(9) 0.01221(7) -0.19775(5) 0.0257(2) Uani 1 1 d .
Mn2 Mn 1.0000 0.5000 0.5000 0.0252(3) Uani 1 2 d S
Zn2 Zn 1.00896(9) 0.05120(7) -0.06398(5) 0.0454(3) Uani 1 1 d .
O13 O 0.8602(4) -0.0233(3) -0.0075(2) 0.0356(12) Uani 1 1 d .
O8 O 0.9076(5) 0.9349(3) 0.7846(2) 0.0389(12) Uani 1 1 d .
O7 O 1.0182(5) 0.9264(3) 0.8769(2) 0.0381(12) Uani 1 1 d .
C26 C 0.6214(6) -0.0880(4) -0.0223(3) 0.0248(14) Uani 1 1 d .
O14 O 0.7576(5) -0.0272(4) -0.1012(2) 0.0438(13) Uani 1 1 d .
O6 O 0.8918(5) 0.7026(3) 0.5876(2) 0.0439(13) Uani 1 1 d .
O1 O 0.5843(5) 0.1440(3) 0.2958(3) 0.0460(14) Uani 1 1 d .
O9 O 0.4648(5) -0.0760(4) 0.3041(3) 0.0476(14) Uani 1 1 d .
O5 O 0.9639(5) 0.5765(3) 0.5918(2) 0.0427(13) Uani 1 1 d .
O10 O 0.2583(5) -0.0612(4) 0.2883(3) 0.0430(13) Uani 1 1 d .
O21 O 1.0003(5) 0.1730(4) 0.0105(3) 0.0488(14) Uani 1 1 d .
H21C H 1.0812 0.2096 0.0156 0.059 Uiso 1 1 d R
H21D H 0.9748 0.1613 0.0465 0.059 Uiso 1 1 d R
O15 O 0.5894(5) -0.0305(4) 0.1726(2) 0.0435(13) Uani 1 1 d .
O2 O 0.3964(5) 0.1198(3) 0.2321(3) 0.0484(14) Uani 1 1 d .
O12 O 0.0109(5) -0.3749(4) 0.4630(3) 0.0458(14) Uani 1 1 d .
C16 C 0.9792(7) 0.8998(5) 0.8165(3) 0.0312(16) Uani 1 1 d .
O3 O 0.7866(5) 0.4466(3) 0.4567(3) 0.0453(14) Uani 1 1 d .
N2 N 0.7078(6) 0.7655(4) 0.5025(3) 0.0403(15) Uani 1 1 d .
O4 O 0.6967(5) 0.5633(4) 0.4494(3) 0.0569(17) Uani 1 1 d .
N1 N 0.7566(6) 0.0207(5) 0.3157(3) 0.0407(15) Uani 1 1 d .
C23 C 0.1817(7) -0.2085(5) 0.3660(3) 0.0302(16) Uani 1 1 d .
H23 H 0.1368 -0.1630 0.3743 0.036 Uiso 1 1 calc R
C15 C 0.9701(6) 0.7768(5) 0.7176(3) 0.0293(15) Uani 1 1 d .
H15 H 0.9120 0.8010 0.6956 0.035 Uiso 1 1 calc R
C25 C 0.7520(7) -0.0448(5) -0.0461(3) 0.0303(16) Uani 1 1 d .
C31 C 0.6121(6) -0.0728(5) 0.0426(3) 0.0273(15) Uani 1 1 d .
H31 H 0.6893 -0.0408 0.0716 0.033 Uiso 1 1 calc R
O17 O 1.1258(6) 0.1434(4) -0.1125(3) 0.0546(15) Uani 1 1 d .
C32 C 0.4782(7) -0.0746(5) 0.1377(4) 0.0349(17) Uani 1 1 d .
C9 C 0.9494(7) 0.6541(5) 0.6165(3) 0.0303(16) Uani 1 1 d .
C10 C 1.0049(6) 0.6983(5) 0.6861(3) 0.0298(16) Uani 1 1 d .
C18 C 0.2866(7) -0.1937(5) 0.3286(3) 0.0370(17) Uani 1 1 d .
O18 O 0.9327(5) 0.1396(4) -0.1643(3) 0.0599(17) Uani 1 1 d .
C27 C 0.5059(7) -0.1381(5) -0.0665(3) 0.0348(17) Uani 1 1 d .
H27 H 0.5112 -0.1476 -0.1109 0.042 Uiso 1 1 calc R
C30 C 0.4871(6) -0.1049(5) 0.0663(3) 0.0308(16) Uani 1 1 d .
C14 C 1.0213(7) 0.8182(5) 0.7810(3) 0.0355(17) Uani 1 1 d .
C34 C 1.1377(7) 0.2392(5) -0.1904(4) 0.0394(18) Uani 1 1 d .
C17 C 0.3376(8) -0.1037(5) 0.3046(4) 0.0387(18) Uani 1 1 d .
C1 C 0.4892(7) 0.1703(5) 0.2756(4) 0.0363(17) Uani 1 1 d .
O19 O 1.5521(6) 0.3271(5) -0.1586(4) 0.082(2) Uani 1 1 d .
H19 H 1.6311 0.3572 -0.1450 0.124 Uiso 1 1 calc R
C8 C 0.6996(7) 0.4778(5) 0.4347(4) 0.0366(18) Uani 1 1 d .
C33 C 1.0584(8) 0.1678(5) -0.1534(4) 0.043(2) Uani 1 1 d .
C11 C 1.0943(9) 0.6648(6) 0.7181(4) 0.055(2) Uani 1 1 d .
H11 H 1.1180 0.6130 0.6970 0.066 Uiso 1 1 calc R
C28 C 0.3841(7) -0.1730(5) -0.0430(4) 0.0386(18) Uani 1 1 d .
H28 H 0.3081 -0.2093 -0.0716 0.046 Uiso 1 1 calc R
C39 C 1.2764(7) 0.2683(5) -0.1811(4) 0.0385(18) Uani 1 1 d .
H39 H 1.3205 0.2413 -0.1538 0.046 Uiso 1 1 calc R
C52 C 0.6765(9) 0.8055(7) 0.5583(4) 0.060(3) Uani 1 1 d .
H52 H 0.7089 0.7920 0.5964 0.072 Uiso 1 1 calc R
C29 C 0.3743(7) -0.1543(5) 0.0231(4) 0.0379(18) Uani 1 1 d .
H29 H 0.2910 -0.1754 0.0381 0.045 Uiso 1 1 calc R
C13 C 1.1117(10) 0.7831(7) 0.8128(4) 0.069(3) Uani 1 1 d .
H13 H 1.1469 0.8109 0.8557 0.083 Uiso 1 1 calc R
C43 C 0.9384(7) 0.0058(6) 0.4132(4) 0.0422(19) Uani 1 1 d .
C35 C 1.0733(9) 0.2781(6) -0.2328(4) 0.058(2) Uani 1 1 d .
H35 H 0.9795 0.2588 -0.2399 0.069 Uiso 1 1 calc R
C40 C 1.5038(10) 0.3727(7) -0.1964(5) 0.063(3) Uani 1 1 d .
C22 C 0.1420(7) -0.2910(5) 0.3914(4) 0.0348(17) Uani 1 1 d .
C46 C 0.8036(7) 0.0892(5) 0.3681(4) 0.046(2) Uani 1 1 d .
H46 H 0.7747 0.1430 0.3719 0.055 Uiso 1 1 calc R
C6 C 0.5885(7) 0.4152(5) 0.3840(4) 0.0353(17) Uani 1 1 d .
C21 C 0.2053(9) -0.3601(6) 0.3764(5) 0.061(3) Uani 1 1 d .
H21A H 0.1793 -0.4154 0.3930 0.074 Uiso 1 1 calc R
C38 C 1.3517(8) 0.3373(6) -0.2118(4) 0.050(2) Uani 1 1 d .
O20 O 1.5703(7) 0.4396(5) -0.2184(4) 0.083(2) Uani 1 1 d .
C36 C 1.1481(12) 0.3454(7) -0.2643(5) 0.080(3) Uani 1 1 d .
H36 H 1.1046 0.3701 -0.2935 0.096 Uiso 1 1 calc R
C19 C 0.3504(9) -0.2634(6) 0.3134(5) 0.064(3) Uani 1 1 d .
H19A H 0.4210 -0.2538 0.2879 0.077 Uiso 1 1 calc R
C44 C 1.0279(8) -0.0032(7) 0.4692(4) 0.053(2) Uani 1 1 d .
H44A H 1.0453 -0.0640 0.4587 0.064 Uiso 1 1 calc R
H44B H 1.1137 0.0466 0.4741 0.064 Uiso 1 1 calc R
C49 C 0.5505(8) 0.8871(6) 0.5071(5) 0.049(2) Uani 1 1 d .
C50 C 0.4656(9) 0.9546(6) 0.5092(5) 0.067(3) Uani 1 1 d .
H50A H 0.3827 0.9232 0.4803 0.081 Uiso 1 1 calc R
H50B H 0.4415 0.9679 0.5528 0.081 Uiso 1 1 calc R
C45 C 0.8932(8) 0.0843(6) 0.4171(4) 0.052(2) Uani 1 1 d .
H45 H 0.9234 0.1341 0.4529 0.062 Uiso 1 1 calc R
C51 C 0.5991(10) 0.8656(7) 0.5623(5) 0.065(3) Uani 1 1 d .
H51 H 0.5795 0.8918 0.6024 0.077 Uiso 1 1 calc R
O16 O 0.3651(5) -0.0937(3) 0.1574(2) 0.0384(12) Uani 1 1 d .
C12 C 1.1494(11) 0.7071(8) 0.7812(4) 0.085(4) Uani 1 1 d .
H12 H 1.2112 0.6849 0.8023 0.102 Uiso 1 1 calc R
C48 C 0.5853(10) 0.8502(7) 0.4493(5) 0.078(3) Uani 1 1 d .
H48 H 0.5593 0.8666 0.4110 0.094 Uiso 1 1 calc R
C41 C 0.8057(9) -0.0516(7) 0.3106(5) 0.077(3) Uani 1 1 d .
H41 H 0.7788 -0.0983 0.2729 0.093 Uiso 1 1 calc R
C42 C 0.8937(10) -0.0627(7) 0.3574(5) 0.079(3) Uani 1 1 d .
H42 H 0.9232 -0.1162 0.3514 0.095 Uiso 1 1 calc R
C20 C 0.3070(10) -0.3474(7) 0.3367(5) 0.069(3) Uani 1 1 d U
H20A H 0.3468 -0.3953 0.3256 0.083 Uiso 1 1 calc R
C47 C 0.6610(10) 0.7874(7) 0.4492(5) 0.075(3) Uani 1 1 d .
H47 H 0.6800 0.7591 0.4095 0.090 Uiso 1 1 calc R
C37 C 1.2852(11) 0.3757(7) -0.2529(4) 0.069(3) Uani 1 1 d .
H37 H 1.3345 0.4229 -0.2730 0.082 Uiso 1 1 calc R
C7 C 0.5890(7) 0.3247(5) 0.3545(4) 0.0378(18) Uani 1 1 d .
H7 H 0.6583 0.3019 0.3675 0.045 Uiso 1 1 calc R
C5 C 0.4800(7) 0.4466(5) 0.3645(4) 0.049(2) Uani 1 1 d .
H5 H 0.4756 0.5059 0.3846 0.059 Uiso 1 1 calc R
C4 C 0.3810(8) 0.3905(5) 0.3161(4) 0.054(2) Uani 1 1 d .
H4 H 0.3116 0.4128 0.3025 0.065 Uiso 1 1 calc R
C2 C 0.4880(7) 0.2678(5) 0.3061(3) 0.0328(16) Uani 1 1 d .
C3 C 0.3840(7) 0.3009(5) 0.2876(4) 0.0408(19) Uani 1 1 d .
H3 H 0.3153 0.2626 0.2555 0.049 Uiso 1 1 calc R
O11 O -0.0407(5) -0.2529(3) 0.4395(2) 0.0379(12) Uani 1 1 d .
C24 C 0.0314(7) -0.3076(5) 0.4329(3) 0.0312(16) Uani 1 1 d .
C62 C 1.1106(10) 0.6470(7) 0.1035(5) 0.071(3) Uani 1 1 d .
H62 H 1.1482 0.7119 0.1049 0.086 Uiso 1 1 calc R
C61 C 0.9784(10) 0.6048(7) 0.0759(5) 0.074(3) Uani 1 1 d .
H61 H 0.9305 0.6405 0.0587 0.088 Uiso 1 1 calc R
C60 C 0.9179(10) 0.5086(7) 0.0743(6) 0.071(3) Uani 1 1 d .
N4 N 1.1872(8) 0.6029(6) 0.1278(5) 0.081(3) Uani 1 1 d .
C64 C 1.1300(11) 0.5113(8) 0.1270(7) 0.110(5) Uani 1 1 d .
H64 H 1.1808 0.4779 0.1446 0.132 Uiso 1 1 calc R
C55 C 0.5337(9) 0.3986(6) 0.0768(5) 0.060(3) Uani 1 1 d .
C56 C 0.4516(9) 0.3758(7) 0.1246(5) 0.068(3) Uani 1 1 d .
H56 H 0.4862 0.3947 0.1681 0.081 Uiso 1 1 calc R
C54 C 0.4746(9) 0.3667(6) 0.0144(5) 0.063(3) Uani 1 1 d .
H54 H 0.5254 0.3792 -0.0196 0.076 Uiso 1 1 calc R
C63 C 0.9959(11) 0.4626(8) 0.1006(7) 0.104(5) Uani 1 1 d .
H63 H 0.9600 0.3981 0.1011 0.125 Uiso 1 1 calc R
C59 C 0.7726(10) 0.4555(8) 0.0454(6) 0.087(3) Uani 1 1 d .
H59A H 0.7469 0.4859 0.0118 0.104 Uiso 1 1 calc R
H59B H 0.7657 0.3905 0.0257 0.104 Uiso 1 1 calc R
C53 C 0.3398(9) 0.3162(7) 0.0017(5) 0.065(3) Uani 1 1 d .
H53 H 0.3023 0.2966 -0.0414 0.078 Uiso 1 1 calc R
N3 N 0.2604(7) 0.2935(5) 0.0456(4) 0.065(2) Uani 1 1 d .
C57 C 0.3180(10) 0.3248(7) 0.1060(5) 0.069(3) Uani 1 1 d .
H57 H 0.2638 0.3113 0.1386 0.083 Uiso 1 1 calc R
C58 C 0.6806(10) 0.4547(8) 0.0947(5) 0.085(3) Uani 1 1 d .
H58A H 0.6856 0.5204 0.1116 0.102 Uiso 1 1 calc R
H58B H 0.7150 0.4311 0.1300 0.102 Uiso 1 1 calc R
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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'
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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O15 Zn1 O1 122.5(2) . .
O15 Zn1 O9 114.4(2) . .
O1 Zn1 O9 111.4(2) . .
O15 Zn1 N1 110.8(2) . .
O1 Zn1 N1 97.4(2) . .
O9 Zn1 N1 95.3(2) . .
O4 Zn3 O6 126.5(3) . .
O4 Zn3 N2 98.4(2) . .
O6 Zn3 N2 97.7(2) . .
O4 Zn3 O11 112.9(2) . 1_665
O6 Zn3 O11 115.6(2) . 1_665
N2 Zn3 O11 96.1(2) . 1_665
O4 Zn3 O12 92.8(2) . 1_665
O6 Zn3 O12 94.1(2) . 1_665
N2 Zn3 O12 154.1(2) . 1_665
O11 Zn3 O12 58.04(17) 1_665 1_665
O4 Zn3 C24 103.3(2) . 1_665
O6 Zn3 C24 107.9(2) . 1_665
N2 Zn3 C24 125.1(2) . 1_665
O11 Zn3 C24 29.02(19) 1_665 1_665
O12 Zn3 C24 29.07(18) 1_665 1_665
O2 Mn3 O8 88.7(2) 2_655 1_544
O2 Mn3 O18 176.5(2) 2_655 .
O8 Mn3 O18 87.8(2) 1_544 .
O2 Mn3 O16 96.0(2) 2_655 2_655
O8 Mn3 O16 167.22(19) 1_544 2_655
O18 Mn3 O16 87.4(2) . 2_655
O2 Mn3 O10 92.8(2) 2_655 2_655
O8 Mn3 O10 102.69(19) 1_544 2_655
O18 Mn3 O10 88.1(2) . 2_655
O16 Mn3 O10 88.96(19) 2_655 2_655
O2 Mn3 O14 86.4(2) 2_655 .
O8 Mn3 O14 87.04(19) 1_544 .
O18 Mn3 O14 93.4(2) . .
O16 Mn3 O14 81.44(19) 2_655 .
O10 Mn3 O14 170.22(19) 2_655 .
O12 Mn2 O12 180.0(3) 2_656 1_665
O12 Mn2 O5 93.05(19) 2_656 .
O12 Mn2 O5 86.95(19) 1_665 .
O12 Mn2 O5 86.95(19) 2_656 2_766
O12 Mn2 O5 93.05(19) 1_665 2_766
O5 Mn2 O5 179.997(2) . 2_766
O12 Mn2 O3 86.5(2) 2_656 2_766
O12 Mn2 O3 93.5(2) 1_665 2_766
O5 Mn2 O3 84.1(2) . 2_766
O5 Mn2 O3 95.9(2) 2_766 2_766
O12 Mn2 O3 93.5(2) 2_656 .
O12 Mn2 O3 86.5(2) 1_665 .
O5 Mn2 O3 95.9(2) . .
O5 Mn2 O3 84.1(2) 2_766 .
O3 Mn2 O3 179.997(2) 2_766 .
O17 Zn2 O7 96.7(2) . 1_544
O17 Zn2 O13 107.7(2) . 2_755
O7 Zn2 O13 86.44(19) 1_544 2_755
O17 Zn2 O13 167.0(2) . .
O7 Zn2 O13 94.37(19) 1_544 .
O13 Zn2 O13 79.85(17) 2_755 .
O17 Zn2 O21 89.9(2) . .
O7 Zn2 O21 171.7(2) 1_544 .
O13 Zn2 O21 86.82(19) 2_755 .
O13 Zn2 O21 79.75(19) . .
O17 Zn2 O14 121.1(2) . .
O7 Zn2 O14 81.13(18) 1_544 .
O13 Zn2 O14 130.61(17) 2_755 .
O13 Zn2 O14 54.02(16) . .
O21 Zn2 O14 99.75(18) . .
O17 Zn2 Zn2 146.80(18) . 2_755
O7 Zn2 Zn2 90.57(14) 1_544 2_755
O13 Zn2 Zn2 40.30(12) 2_755 2_755
O13 Zn2 Zn2 39.55(12) . 2_755
O21 Zn2 Zn2 81.21(15) . 2_755
O14 Zn2 Zn2 92.00(12) . 2_755
C25 O13 Zn2 153.3(5) . 2_755
C25 O13 Zn2 101.2(4) . .
Zn2 O13 Zn2 100.15(17) 2_755 .
C16 O8 Mn3 138.0(5) . 1_566
C16 O7 Zn2 126.0(4) . 1_566
C31 C26 C27 120.1(6) . .
C31 C26 C25 119.5(6) . .
C27 C26 C25 120.2(6) . .
C25 O14 Mn3 176.4(5) . .
C25 O14 Zn2 84.8(4) . .
Mn3 O14 Zn2 95.65(17) . .
C9 O6 Zn3 126.9(5) . .
C1 O1 Zn1 118.5(5) . .
C17 O9 Zn1 133.2(5) . .
C9 O5 Mn2 141.1(5) . .
C17 O10 Mn3 128.1(5) . 2_655
Zn2 O21 H21C 102.0 . .
Zn2 O21 H21D 117.6 . .
H21C O21 H21D 111.1 . .
C32 O15 Zn1 117.8(4) . .
C1 O2 Mn3 148.4(5) . 2_655
C24 O12 Mn2 168.2(5) . 1_445
C24 O12 Zn3 84.2(4) . 1_445
Mn2 O12 Zn3 106.8(2) 1_445 1_445
O8 C16 O7 125.4(6) . .
O8 C16 C14 117.9(6) . .
O7 C16 C14 116.7(6) . .
C8 O3 Mn2 138.8(5) . .
C52 N2 C47 116.6(7) . .
C52 N2 Zn3 122.9(6) . .
C47 N2 Zn3 120.4(6) . .
C8 O4 Zn3 131.7(5) . .
C41 N1 C46 116.5(7) . .
C41 N1 Zn1 122.8(6) . .
C46 N1 Zn1 118.7(5) . .
C18 C23 C22 120.5(6) . .
C18 C23 H23 119.7 . .
C22 C23 H23 119.7 . .
C14 C15 C10 120.3(6) . .
C14 C15 H15 119.9 . .
C10 C15 H15 119.9 . .
O14 C25 O13 119.8(6) . .
O14 C25 C26 121.9(6) . .
O13 C25 C26 118.3(6) . .
C26 C31 C30 120.8(6) . .
C26 C31 H31 119.6 . .
C30 C31 H31 119.6 . .
C33 O17 Zn2 112.7(5) . .
O16 C32 O15 125.5(7) . .
O16 C32 C30 118.7(7) . .
O15 C32 C30 115.8(6) . .
O5 C9 O6 125.5(6) . .
O5 C9 C10 119.6(6) . .
O6 C9 C10 114.9(6) . .
C11 C10 C15 119.7(7) . .
C11 C10 C9 120.4(7) . .
C15 C10 C9 119.9(6) . .
C23 C18 C19 120.2(7) . .
C23 C18 C17 121.9(7) . .
C19 C18 C17 118.0(7) . .
C33 O18 Mn3 142.0(5) . .
C28 C27 C26 118.9(7) . .
C28 C27 H27 120.5 . .
C26 C27 H27 120.5 . .
C29 C30 C31 119.0(7) . .
C29 C30 C32 121.9(6) . .
C31 C30 C32 118.8(6) . .
C15 C14 C13 119.3(7) . .
C15 C14 C16 120.8(6) . .
C13 C14 C16 119.9(7) . .
C39 C34 C35 118.8(7) . .
C39 C34 C33 119.9(7) . .
C35 C34 C33 121.3(7) . .
O10 C17 O9 125.7(7) . .
O10 C17 C18 120.4(7) . .
O9 C17 C18 113.9(7) . .
O1 C1 O2 123.8(7) . .
O1 C1 C2 116.7(6) . .
O2 C1 C2 119.5(7) . .
C40 O19 H19 109.5 . .
O3 C8 O4 125.7(6) . .
O3 C8 C6 120.6(6) . .
O4 C8 C6 113.6(6) . .
O17 C33 O18 124.9(8) . .
O17 C33 C34 116.2(7) . .
O18 C33 C34 118.9(8) . .
C10 C11 C12 120.8(8) . .
C10 C11 H11 119.6 . .
C12 C11 H11 119.6 . .
C27 C28 C29 120.6(6) . .
C27 C28 H28 119.7 . .
C29 C28 H28 119.7 . .
C34 C39 C38 121.2(8) . .
C34 C39 H39 119.4 . .
C38 C39 H39 119.4 . .
N2 C52 C51 123.2(8) . .
N2 C52 H52 118.4 . .
C51 C52 H52 118.4 . .
C30 C29 C28 120.4(7) . .
C30 C29 H29 119.8 . .
C28 C29 H29 119.8 . .
C12 C13 C14 120.6(8) . .
C12 C13 H13 119.7 . .
C14 C13 H13 119.7 . .
C42 C43 C45 116.2(8) . .
C42 C43 C44 123.4(8) . .
C45 C43 C44 120.3(7) . .
C36 C35 C34 120.1(8) . .
C36 C35 H35 119.9 . .
C34 C35 H35 119.9 . .
O20 C40 O19 125.6(10) . .
O20 C40 C38 120.1(11) . .
O19 C40 C38 114.4(8) . .
C21 C22 C23 119.3(7) . .
C21 C22 C24 119.1(6) . .
C23 C22 C24 121.6(6) . .
N1 C46 C45 122.9(8) . .
N1 C46 H46 118.5 . .
C45 C46 H46 118.5 . .
C7 C6 C5 118.0(6) . .
C7 C6 C8 121.2(6) . .
C5 C6 C8 120.8(7) . .
C20 C21 C22 120.4(8) . .
C20 C21 H21A 119.8 . .
C22 C21 H21A 119.8 . .
C37 C38 C39 118.8(8) . .
C37 C38 C40 121.6(8) . .
C39 C38 C40 119.5(9) . .
C37 C36 C35 120.2(9) . .
C37 C36 H36 119.9 . .
C35 C36 H36 119.9 . .
C20 C19 C18 119.2(8) . .
C20 C19 H19A 120.4 . .
C18 C19 H19A 120.4 . .
C44 C44 C43 114.5(9) 2_756 .
C44 C44 H44A 108.6 2_756 .
C43 C44 H44A 108.6 . .
C44 C44 H44B 108.6 2_756 .
C43 C44 H44B 108.6 . .
H44A C44 H44B 107.6 . .
C48 C49 C51 118.4(8) . .
C48 C49 C50 119.8(9) . .
C51 C49 C50 121.7(8) . .
C50 C50 C49 113.5(9) 2_676 .
C50 C50 H50A 108.9 2_676 .
C49 C50 H50A 108.9 . .
C50 C50 H50B 108.9 2_676 .
C49 C50 H50B 108.9 . .
H50A C50 H50B 107.7 . .
C46 C45 C43 120.3(8) . .
C46 C45 H45 119.8 . .
C43 C45 H45 119.8 . .
C49 C51 C52 119.8(8) . .
C49 C51 H51 120.1 . .
C52 C51 H51 120.1 . .
C32 O16 Mn3 135.8(5) . 2_655
C11 C12 C13 119.3(8) . .
C11 C12 H12 120.3 . .
C13 C12 H12 120.3 . .
C49 C48 C47 118.0(9) . .
C49 C48 H48 121.0 . .
C47 C48 H48 121.0 . .
N1 C41 C42 124.2(8) . .
N1 C41 H41 117.9 . .
C42 C41 H41 117.9 . .
C41 C42 C43 119.7(8) . .
C41 C42 H42 120.2 . .
C43 C42 H42 120.2 . .
C21 C20 C19 120.3(8) . .
C21 C20 H20A 119.8 . .
C19 C20 H20A 119.8 . .
N2 C47 C48 123.8(9) . .
N2 C47 H47 118.1 . .
C48 C47 H47 118.1 . .
C36 C37 C38 120.8(8) . .
C36 C37 H37 119.6 . .
C38 C37 H37 119.6 . .
C2 C7 C6 121.1(7) . .
C2 C7 H7 119.4 . .
C6 C7 H7 119.4 . .
C4 C5 C6 120.6(7) . .
C4 C5 H5 119.7 . .
C6 C5 H5 119.7 . .
C5 C4 C3 120.2(7) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
C3 C2 C7 119.5(7) . .
C3 C2 C1 120.1(6) . .
C7 C2 C1 120.4(7) . .
C2 C3 C4 120.5(7) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C24 O11 Zn3 98.0(4) . 1_445
O12 C24 O11 119.6(7) . .
O12 C24 C22 120.3(6) . .
O11 C24 C22 120.2(6) . .
O12 C24 Zn3 66.7(4) . 1_445
O11 C24 Zn3 53.0(3) . 1_445
C22 C24 Zn3 172.7(5) . 1_445
N4 C62 C61 125.1(10) . .
N4 C62 H62 117.4 . .
C61 C62 H62 117.4 . .
C62 C61 C60 119.1(10) . .
C62 C61 H61 120.5 . .
C60 C61 H61 120.5 . .
C63 C60 C61 116.2(10) . .
C63 C60 C59 120.6(10) . .
C61 C60 C59 123.2(10) . .
C62 N4 C64 116.2(9) . .
N4 C64 C63 122.8(11) . .
N4 C64 H64 118.6 . .
C63 C64 H64 118.6 . .
C54 C55 C56 116.5(9) . .
C54 C55 C58 123.0(9) . .
C56 C55 C58 120.5(9) . .
C57 C56 C55 118.4(9) . .
C57 C56 H56 120.8 . .
C55 C56 H56 120.8 . .
C55 C54 C53 119.8(9) . .
C55 C54 H54 120.1 . .
C53 C54 H54 120.1 . .
C60 C63 C64 120.7(10) . .
C60 C63 H63 119.7 . .
C64 C63 H63 119.7 . .
C58 C59 C60 111.3(10) . .
C58 C59 H59A 109.4 . .
C60 C59 H59A 109.4 . .
C58 C59 H59B 109.4 . .
C60 C59 H59B 109.4 . .
H59A C59 H59B 108.0 . .
N3 C53 C54 125.0(10) . .
N3 C53 H53 117.5 . .
C54 C53 H53 117.5 . .
C53 N3 C57 115.0(8) . .
N3 C57 C56 125.2(9) . .
N3 C57 H57 117.4 . .
C56 C57 H57 117.4 . .
C59 C58 C55 119.4(9) . .
C59 C58 H58A 107.5 . .
C55 C58 H58A 107.5 . .
C59 C58 H58B 107.5 . .
C55 C58 H58B 107.5 . .
H58A C58 H58B 107.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O15 1.902(5) .
Zn1 O1 1.936(5) .
Zn1 O9 1.942(5) .
Zn1 N1 2.035(6) .
Zn3 O4 1.905(5) .
Zn3 O6 1.922(5) .
Zn3 N2 2.061(6) .
Zn3 O11 2.072(5) 1_665
Zn3 O12 2.373(5) 1_665
Zn3 C24 2.570(7) 1_665
Mn3 O2 2.155(5) 2_655
Mn3 O8 2.159(5) 1_544
Mn3 O18 2.160(5) .
Mn3 O16 2.178(5) 2_655
Mn3 O10 2.185(5) 2_655
Mn3 O14 2.217(5) .
Mn2 O12 2.126(5) 2_656
Mn2 O12 2.126(5) 1_665
Mn2 O5 2.185(5) .
Mn2 O5 2.185(5) 2_766
Mn2 O3 2.211(5) 2_766
Mn2 O3 2.211(5) .
Zn2 O17 2.027(5) .
Zn2 O7 2.089(5) 1_544
Zn2 O13 2.146(5) 2_755
Zn2 O13 2.180(5) .
Zn2 O21 2.217(5) .
Zn2 O14 2.549(5) .
Zn2 Zn2 3.318(2) 2_755
O13 C25 1.275(8) .
O13 Zn2 2.146(5) 2_755
O8 C16 1.255(8) .
O8 Mn3 2.159(5) 1_566
O7 C16 1.271(8) .
O7 Zn2 2.089(5) 1_566
C26 C31 1.364(9) .
C26 C27 1.406(9) .
C26 C25 1.487(9) .
O14 C25 1.236(8) .
O6 C9 1.273(8) .
O1 C1 1.247(8) .
O9 C17 1.270(9) .
O5 C9 1.242(8) .
O10 C17 1.246(9) .
O10 Mn3 2.185(5) 2_655
O21 H21C 0.8500 .
O21 H21D 0.8500 .
O15 C32 1.266(8) .
O2 C1 1.254(8) .
O2 Mn3 2.155(5) 2_655
O12 C24 1.255(8) .
O12 Mn2 2.126(5) 1_445
O12 Zn3 2.373(5) 1_445
C16 C14 1.510(9) .
O3 C8 1.235(8) .
N2 C52 1.328(10) .
N2 C47 1.328(10) .
O4 C8 1.273(8) .
N1 C41 1.317(10) .
N1 C46 1.327(10) .
C23 C18 1.376(9) .
C23 C22 1.395(9) .
C23 H23 0.9300 .
C15 C14 1.374(9) .
C15 C10 1.399(9) .
C15 H15 0.9300 .
C31 C30 1.407(9) .
C31 H31 0.9300 .
O17 C33 1.247(9) .
C32 O16 1.245(8) .
C32 C30 1.513(10) .
C9 C10 1.504(9) .
C10 C11 1.374(10) .
C18 C19 1.394(10) .
C18 C17 1.487(10) .
O18 C33 1.248(9) .
C27 C28 1.384(9) .
C27 H27 0.9300 .
C30 C29 1.374(9) .
C14 C13 1.396(10) .
C34 C39 1.374(10) .
C34 C35 1.386(11) .
C34 C33 1.514(10) .
C1 C2 1.493(10) .
O19 C40 1.301(12) .
O19 H19 0.8200 .
C8 C6 1.494(9) .
C11 C12 1.379(11) .
C11 H11 0.9300 .
C28 C29 1.389(10) .
C28 H28 0.9300 .
C39 C38 1.388(10) .
C39 H39 0.9300 .
C52 C51 1.368(11) .
C52 H52 0.9300 .
C29 H29 0.9300 .
C13 C12 1.386(12) .
C13 H13 0.9300 .
C43 C42 1.375(11) .
C43 C45 1.379(11) .
C43 C44 1.508(10) .
C35 C36 1.381(12) .
C35 H35 0.9300 .
C40 O20 1.223(10) .
C40 C38 1.513(12) .
C22 C21 1.383(10) .
C22 C24 1.481(10) .
C46 C45 1.375(10) .
C46 H46 0.9300 .
C6 C7 1.391(10) .
C6 C5 1.410(10) .
C21 C20 1.381(11) .
C21 H21A 0.9300 .
C38 C37 1.375(13) .
C36 C37 1.359(13) .
C36 H36 0.9300 .
C19 C20 1.394(12) .
C19 H19A 0.9300 .
C44 C44 1.457(16) 2_756
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C49 C48 1.366(13) .
C49 C51 1.365(12) .
C49 C50 1.521(10) .
C50 C50 1.470(16) 2_676
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C45 H45 0.9300 .
C51 H51 0.9300 .
O16 Mn3 2.178(5) 2_655
C12 H12 0.9300 .
C48 C47 1.392(12) .
C48 H48 0.9300 .
C41 C42 1.370(12) .
C41 H41 0.9300 .
C42 H42 0.9300 .
C20 H20A 0.9300 .
C47 H47 0.9300 .
C37 H37 0.9300 .
C7 C2 1.385(9) .
C7 H7 0.9300 .
C5 C4 1.372(10) .
C5 H5 0.9300 .
C4 C3 1.380(10) .
C4 H4 0.9300 .
C2 C3 1.379(10) .
C3 H3 0.9300 .
O11 C24 1.259(8) .
O11 Zn3 2.072(5) 1_445
C24 Zn3 2.570(7) 1_445
C62 N4 1.308(13) .
C62 C61 1.380(13) .
C62 H62 0.9300 .
C61 C60 1.388(13) .
C61 H61 0.9300 .
C60 C63 1.359(14) .
C60 C59 1.521(13) .
N4 C64 1.322(12) .
C64 C63 1.402(15) .
C64 H64 0.9300 .
C55 C54 1.362(12) .
C55 C56 1.385(13) .
C55 C58 1.505(12) .
C56 C57 1.374(12) .
C56 H56 0.9300 .
C54 C53 1.372(12) .
C54 H54 0.9300 .
C63 H63 0.9300 .
C59 C58 1.456(14) .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
C53 N3 1.303(11) .
C53 H53 0.9300 .
N3 C57 1.318(12) .
C57 H57 0.9300 .
C58 H58A 0.9700 .
C58 H58B 0.9700 .
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O17 Zn2 O13 C25 69.6(11) . .
O7 Zn2 O13 C25 -78.3(4) 1_544 .
O13 Zn2 O13 C25 -163.9(5) 2_755 .
O21 Zn2 O13 C25 107.6(4) . .
O14 Zn2 O13 C25 -2.6(4) . .
Zn2 Zn2 O13 C25 -163.9(5) 2_755 .
O17 Zn2 O13 Zn2 -126.6(9) . 2_755
O7 Zn2 O13 Zn2 85.6(2) 1_544 2_755
O13 Zn2 O13 Zn2 0.0 2_755 2_755
O21 Zn2 O13 Zn2 -88.6(2) . 2_755
O14 Zn2 O13 Zn2 161.3(3) . 2_755
O2 Mn3 O14 C25 -115(8) 2_655 .
O8 Mn3 O14 C25 156(8) 1_544 .
O18 Mn3 O14 C25 68(8) . .
O16 Mn3 O14 C25 -19(8) 2_655 .
O10 Mn3 O14 C25 -30(8) 2_655 .
O2 Mn3 O14 Zn2 147.5(2) 2_655 .
O8 Mn3 O14 Zn2 58.60(19) 1_544 .
O18 Mn3 O14 Zn2 -29.0(2) . .
O16 Mn3 O14 Zn2 -115.8(2) 2_655 .
O10 Mn3 O14 Zn2 -127.1(11) 2_655 .
O17 Zn2 O14 C25 -162.9(4) . .
O7 Zn2 O14 C25 104.7(4) 1_544 .
O13 Zn2 O14 C25 27.2(5) 2_755 .
O13 Zn2 O14 C25 2.6(4) . .
O21 Zn2 O14 C25 -67.0(4) . .
Zn2 Zn2 O14 C25 14.4(4) 2_755 .
O17 Zn2 O14 Mn3 13.6(3) . .
O7 Zn2 O14 Mn3 -78.9(2) 1_544 .
O13 Zn2 O14 Mn3 -156.39(19) 2_755 .
O13 Zn2 O14 Mn3 179.0(3) . .
O21 Zn2 O14 Mn3 109.4(2) . .
Zn2 Zn2 O14 Mn3 -169.17(16) 2_755 .
O4 Zn3 O6 C9 58.2(7) . .
N2 Zn3 O6 C9 164.8(6) . .
O11 Zn3 O6 C9 -94.7(6) 1_665 .
O12 Zn3 O6 C9 -38.3(6) 1_665 .
C24 Zn3 O6 C9 -64.5(6) 1_665 .
O15 Zn1 O1 C1 61.1(6) . .
O9 Zn1 O1 C1 -79.8(6) . .
N1 Zn1 O1 C1 -178.4(6) . .
O15 Zn1 O9 C17 -78.0(7) . .
O1 Zn1 O9 C17 66.2(7) . .
N1 Zn1 O9 C17 166.3(7) . .
O12 Mn2 O5 C9 -177.7(8) 2_656 .
O12 Mn2 O5 C9 2.3(8) 1_665 .
O5 Mn2 O5 C9 -14(13) 2_766 .
O3 Mn2 O5 C9 96.2(8) 2_766 .
O3 Mn2 O5 C9 -83.8(8) . .
O1 Zn1 O15 C32 -94.8(6) . .
O9 Zn1 O15 C32 45.0(6) . .
N1 Zn1 O15 C32 151.3(5) . .
Mn3 O8 C16 O7 -23.9(12) 1_566 .
Mn3 O8 C16 C14 155.0(5) 1_566 .
Zn2 O7 C16 O8 -13.3(10) 1_566 .
Zn2 O7 C16 C14 167.8(5) 1_566 .
O12 Mn2 O3 C8 164.5(8) 2_656 .
O12 Mn2 O3 C8 -15.5(8) 1_665 .
O5 Mn2 O3 C8 71.1(8) . .
O5 Mn2 O3 C8 -108.9(8) 2_766 .
O3 Mn2 O3 C8 -84(10) 2_766 .
O4 Zn3 N2 C52 116.8(7) . .
O6 Zn3 N2 C52 -12.0(7) . .
O11 Zn3 N2 C52 -128.9(7) 1_665 .
O12 Zn3 N2 C52 -128.5(7) 1_665 .
C24 Zn3 N2 C52 -130.3(7) 1_665 .
O4 Zn3 N2 C47 -64.9(7) . .
O6 Zn3 N2 C47 166.3(7) . .
O11 Zn3 N2 C47 49.3(7) 1_665 .
O12 Zn3 N2 C47 49.8(10) 1_665 .
C24 Zn3 N2 C47 48.0(8) 1_665 .
O6 Zn3 O4 C8 -65.8(8) . .
N2 Zn3 O4 C8 -172.0(8) . .
O11 Zn3 O4 C8 87.8(8) 1_665 .
O12 Zn3 O4 C8 31.5(8) 1_665 .
C24 Zn3 O4 C8 58.9(8) 1_665 .
O15 Zn1 N1 C41 -50.2(8) . .
O1 Zn1 N1 C41 -179.1(8) . .
O9 Zn1 N1 C41 68.4(8) . .
O15 Zn1 N1 C46 146.7(6) . .
O1 Zn1 N1 C46 17.8(6) . .
O9 Zn1 N1 C46 -94.7(6) . .
Mn3 O14 C25 O13 -102(8) . .
Zn2 O14 C25 O13 -4.2(6) . .
Mn3 O14 C25 C26 76(8) . .
Zn2 O14 C25 C26 173.9(6) . .
Zn2 O13 C25 O14 -137.6(8) 2_755 .
Zn2 O13 C25 O14 4.9(7) . .
Zn2 O13 C25 C26 44.3(13) 2_755 .
Zn2 O13 C25 C26 -173.2(5) . .
C31 C26 C25 O14 -154.5(7) . .
C27 C26 C25 O14 20.7(10) . .
C31 C26 C25 O13 23.6(9) . .
C27 C26 C25 O13 -161.2(6) . .
C27 C26 C31 C30 -1.3(10) . .
C25 C26 C31 C30 173.8(6) . .
O7 Zn2 O17 C33 94.8(6) 1_544 .
O13 Zn2 O17 C33 -176.8(5) 2_755 .
O13 Zn2 O17 C33 -52.9(12) . .
O21 Zn2 O17 C33 -90.2(6) . .
O14 Zn2 O17 C33 11.2(6) . .
Zn2 Zn2 O17 C33 -163.8(4) 2_755 .
Zn1 O15 C32 O16 -2.6(10) . .
Zn1 O15 C32 C30 176.9(4) . .
Mn2 O5 C9 O6 35.0(12) . .
Mn2 O5 C9 C10 -143.9(6) . .
Zn3 O6 C9 O5 -6.3(11) . .
Zn3 O6 C9 C10 172.7(4) . .
C14 C15 C10 C11 -2.2(11) . .
C14 C15 C10 C9 -179.4(6) . .
O5 C9 C10 C11 13.6(10) . .
O6 C9 C10 C11 -165.5(7) . .
O5 C9 C10 C15 -169.3(6) . .
O6 C9 C10 C15 11.6(9) . .
C22 C23 C18 C19 2.9(12) . .
C22 C23 C18 C17 -175.7(7) . .
O2 Mn3 O18 C33 -3(4) 2_655 .
O8 Mn3 O18 C33 -4.0(10) 1_544 .
O16 Mn3 O18 C33 164.2(10) 2_655 .
O10 Mn3 O18 C33 -106.8(10) 2_655 .
O14 Mn3 O18 C33 82.9(10) . .
C31 C26 C27 C28 -1.3(10) . .
C25 C26 C27 C28 -176.4(6) . .
C26 C31 C30 C29 1.7(10) . .
C26 C31 C30 C32 -171.6(6) . .
O16 C32 C30 C29 -1.3(11) . .
O15 C32 C30 C29 179.2(7) . .
O16 C32 C30 C31 171.8(6) . .
O15 C32 C30 C31 -7.8(10) . .
C10 C15 C14 C13 2.0(11) . .
C10 C15 C14 C16 -177.0(6) . .
O8 C16 C14 C15 -7.3(11) . .
O7 C16 C14 C15 171.7(7) . .
O8 C16 C14 C13 173.7(8) . .
O7 C16 C14 C13 -7.3(11) . .
Mn3 O10 C17 O9 53.4(11) 2_655 .
Mn3 O10 C17 C18 -128.3(6) 2_655 .
Zn1 O9 C17 O10 -17.8(12) . .
Zn1 O9 C17 C18 163.8(5) . .
C23 C18 C17 O10 -35.7(11) . .
C19 C18 C17 O10 145.7(8) . .
C23 C18 C17 O9 142.8(7) . .
C19 C18 C17 O9 -35.9(10) . .
Zn1 O1 C1 O2 -3.8(10) . .
Zn1 O1 C1 C2 175.9(5) . .
Mn3 O2 C1 O1 56.3(14) 2_655 .
Mn3 O2 C1 C2 -123.4(9) 2_655 .
Mn2 O3 C8 O4 -24.7(14) . .
Mn2 O3 C8 C6 152.2(6) . .
Zn3 O4 C8 O3 10.4(13) . .
Zn3 O4 C8 C6 -166.7(5) . .
Zn2 O17 C33 O18 -0.1(10) . .
Zn2 O17 C33 C34 178.1(5) . .
Mn3 O18 C33 O17 -62.3(13) . .
Mn3 O18 C33 C34 119.6(9) . .
C39 C34 C33 O17 4.3(10) . .
C35 C34 C33 O17 -174.1(8) . .
C39 C34 C33 O18 -177.4(7) . .
C35 C34 C33 O18 4.2(11) . .
C15 C10 C11 C12 0.6(13) . .
C9 C10 C11 C12 177.7(9) . .
C26 C27 C28 C29 3.6(11) . .
C35 C34 C39 C38 1.8(11) . .
C33 C34 C39 C38 -176.6(7) . .
C47 N2 C52 C51 0.7(14) . .
Zn3 N2 C52 C51 179.1(7) . .
C31 C30 C29 C28 0.6(11) . .
C32 C30 C29 C28 173.7(7) . .
C27 C28 C29 C30 -3.3(11) . .
C15 C14 C13 C12 -0.2(15) . .
C16 C14 C13 C12 178.9(9) . .
C39 C34 C35 C36 -0.5(13) . .
C33 C34 C35 C36 177.9(8) . .
C18 C23 C22 C21 -2.8(11) . .
C18 C23 C22 C24 178.6(7) . .
C41 N1 C46 C45 -3.5(13) . .
Zn1 N1 C46 C45 160.7(7) . .
O3 C8 C6 C7 -8.1(12) . .
O4 C8 C6 C7 169.2(7) . .
O3 C8 C6 C5 172.2(8) . .
O4 C8 C6 C5 -10.6(11) . .
C23 C22 C21 C20 0.2(14) . .
C24 C22 C21 C20 178.8(9) . .
C34 C39 C38 C37 -0.9(12) . .
C34 C39 C38 C40 175.4(7) . .
O20 C40 C38 C37 3.0(13) . .
O19 C40 C38 C37 -177.7(9) . .
O20 C40 C38 C39 -173.2(8) . .
O19 C40 C38 C39 6.1(12) . .
C34 C35 C36 C37 -1.6(15) . .
C23 C18 C19 C20 -0.4(14) . .
C17 C18 C19 C20 178.3(9) . .
C42 C43 C44 C44 -122.5(12) . 2_756
C45 C43 C44 C44 55.4(14) . 2_756
C48 C49 C50 C50 -65.2(16) . 2_676
C51 C49 C50 C50 111.5(13) . 2_676
N1 C46 C45 C43 -0.1(13) . .
C42 C43 C45 C46 2.9(13) . .
C44 C43 C45 C46 -175.1(8) . .
C48 C49 C51 C52 -2.4(15) . .
C50 C49 C51 C52 -179.1(9) . .
N2 C52 C51 C49 -0.2(16) . .
O15 C32 O16 Mn3 66.8(11) . 2_655
C30 C32 O16 Mn3 -112.7(7) . 2_655
C10 C11 C12 C13 1.3(17) . .
C14 C13 C12 C11 -1.5(17) . .
C51 C49 C48 C47 4.3(15) . .
C50 C49 C48 C47 -178.9(9) . .
C46 N1 C41 C42 4.3(16) . .
Zn1 N1 C41 C42 -159.1(9) . .
N1 C41 C42 C43 -1.5(19) . .
C45 C43 C42 C41 -2.1(15) . .
C44 C43 C42 C41 175.8(10) . .
C22 C21 C20 C19 2.4(17) . .
C18 C19 C20 C21 -2.2(16) . .
C52 N2 C47 C48 1.4(15) . .
Zn3 N2 C47 C48 -177.0(8) . .
C49 C48 C47 N2 -4.0(17) . .
C35 C36 C37 C38 2.6(16) . .
C39 C38 C37 C36 -1.3(14) . .
C40 C38 C37 C36 -177.5(9) . .
C5 C6 C7 C2 1.7(11) . .
C8 C6 C7 C2 -178.1(7) . .
C7 C6 C5 C4 -2.3(13) . .
C8 C6 C5 C4 177.4(8) . .
C6 C5 C4 C3 2.3(14) . .
C6 C7 C2 C3 -1.0(11) . .
C6 C7 C2 C1 -179.2(7) . .
O1 C1 C2 C3 -178.3(7) . .
O2 C1 C2 C3 1.4(11) . .
O1 C1 C2 C7 0.0(11) . .
O2 C1 C2 C7 179.7(7) . .
C7 C2 C3 C4 0.9(12) . .
C1 C2 C3 C4 179.1(7) . .
C5 C4 C3 C2 -1.5(13) . .
Mn2 O12 C24 O11 163(2) 1_445 .
Zn3 O12 C24 O11 4.1(6) 1_445 .
Mn2 O12 C24 C22 -18(3) 1_445 .
Zn3 O12 C24 C22 -177.5(6) 1_445 .
Mn2 O12 C24 Zn3 159(3) 1_445 1_445
Zn3 O11 C24 O12 -4.7(7) 1_445 .
Zn3 O11 C24 C22 176.9(6) 1_445 .
C21 C22 C24 O12 12.1(11) . .
C23 C22 C24 O12 -169.4(7) . .
C21 C22 C24 O11 -169.5(8) . .
C23 C22 C24 O11 9.1(11) . .
C21 C22 C24 Zn3 -149(4) . 1_445
C23 C22 C24 Zn3 29(4) . 1_445
N4 C62 C61 C60 1.5(17) . .
C62 C61 C60 C63 -0.1(17) . .
C62 C61 C60 C59 179.6(10) . .
C61 C62 N4 C64 -2.0(17) . .
C62 N4 C64 C63 1(2) . .
C54 C55 C56 C57 -0.9(15) . .
C58 C55 C56 C57 179.7(9) . .
C56 C55 C54 C53 0.9(15) . .
C58 C55 C54 C53 -179.8(9) . .
C61 C60 C63 C64 -1(2) . .
C59 C60 C63 C64 179.7(12) . .
N4 C64 C63 C60 0(2) . .
C63 C60 C59 C58 86.8(15) . .
C61 C60 C59 C58 -92.9(14) . .
C55 C54 C53 N3 -1.2(16) . .
C54 C53 N3 C57 1.4(15) . .
C53 N3 C57 C56 -1.5(15) . .
C55 C56 C57 N3 1.3(16) . .
C60 C59 C58 C55 -174.9(9) . .
C54 C55 C58 C59 -16.1(17) . .
C56 C55 C58 C59 163.2(11) . .
