#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:42:47 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185320 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/97/7039732.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_7039732
loop_
_publ_author_name
'Valyaev, Dmitry A.'
'Uvarova, Marina A.'
'Grineva, Alina A.'
'César, Vincent'
'Nefedov, Sergei N.'
'Lugan, Noël'
_publ_section_title
;
 Post-coordination backbone functionalization of an imidazol-2-ylidene and
 its application to synthesize heteropolymetallic complexes incorporating
 the ambidentate IMes(CO2(-)) ligand.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11953
_journal_page_last               11957
_journal_paper_doi               10.1039/c6dt02060g
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C144 H134 Mn4 N12 O20 Zn3 , 6(C2 H3 N)'
_chemical_formula_sum            'C156 H152 Mn4 N18 O20 Zn3'
_chemical_formula_weight         3014.82
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2016-05-08T21:07:06-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2016-05-20 deposited with the CCDC.
2016-06-29 downloaded from the CCDC.
;
_cell_angle_alpha                104.6490(10)
_cell_angle_beta                 102.7660(10)
_cell_angle_gamma                101.6240(10)
_cell_formula_units_Z            1
_cell_length_a                   13.3746(9)
_cell_length_b                   16.7199(11)
_cell_length_c                   18.0349(12)
_cell_measurement_reflns_used    9999
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      36.29
_cell_measurement_theta_min      2.05
_cell_measurement_wavelength     0.71073
_cell_volume                     3661.2(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker Smart / APEX II'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_unetI/netI     0.0487
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            37766
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         2.047
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.889
_exptl_absorpt_correction_T_max  0.871
_exptl_absorpt_correction_T_min  0.842
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
'SADABS, Sheldrick, Bruker, 2000'
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1564
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.996
_refine_diff_density_min         -2.206
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     917
_refine_ls_number_reflns         17534
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0746
_refine_ls_R_factor_gt           0.0487
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0685P)²+3.3094P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1243
_refine_ls_wR_factor_ref         0.139
_reflns_Friedel_coverage         0
_reflns_number_gt                12771
_reflns_number_total             17534
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt02060g2.cif
_cod_data_source_block           complex_5
_cod_depositor_comments
'Adding full bibliography for 7039730--7039732.cif.'
_cod_database_code               7039732
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
C7 C 0.3390(2) 0.58032(18) -0.10027(19) 0.0289(6) Uani 1 1 d . . .
C8 C 0.2396(3) 0.5402(2) -0.0838(3) 0.0471(10) Uani 1 1 d . . .
H8A H 0.1795 0.5561 -0.1129 0.071 Uiso 1 1 calc R U .
H8B H 0.2478 0.5606 -0.0263 0.071 Uiso 1 1 calc R U .
H8C H 0.226 0.4776 -0.1015 0.071 Uiso 1 1 calc R U .
C11 C 0.3120(3) 0.3010(2) -0.50854(17) 0.0298(7) Uani 1 1 d . . .
C12 C 1.1098(2) 0.8742(2) 0.05869(19) 0.0288(6) Uani 1 1 d . . .
C21 C 0.4414(3) 0.2138(2) -0.50444(19) 0.0350(7) Uani 1 1 d . . .
C22 C 1.1803(2) 0.8919(2) 0.20447(18) 0.0294(7) Uani 1 1 d . . .
C31 C 0.4079(2) 0.27596(17) -0.36011(16) 0.0208(5) Uani 1 1 d . . .
C32 C 0.9909(2) 0.75768(16) 0.11756(15) 0.0183(5) Uani 1 1 d . . .
C41 C 0.4941(2) 0.38126(17) -0.23889(15) 0.0213(5) Uani 1 1 d . . .
C42 C 0.8117(2) 0.68940(16) 0.08035(15) 0.0177(5) Uani 1 1 d . . .
C51 C 0.5076(2) 0.30690(18) -0.23020(16) 0.0240(6) Uani 1 1 d . . .
H51 H 0.5452 0.2988 -0.1826 0.029 Uiso 1 1 calc R U .
C52 C 0.8505(2) 0.70242(17) 0.15885(16) 0.0204(5) Uani 1 1 d . . .
H52 H 0.811 0.6859 0.1929 0.024 Uiso 1 1 calc R U .
C61 C 0.5263(2) 0.46517(18) -0.17433(16) 0.0222(6) Uani 1 1 d . . .
C62 C 0.6999(2) 0.64974(16) 0.02932(15) 0.0192(5) Uani 1 1 d . . .
C71 C 0.5894(3) 0.6924(2) -0.25156(18) 0.0327(7) Uani 1 1 d . . .
H71 H 0.5776 0.6326 -0.2764 0.039 Uiso 1 1 calc R U .
C72 C 0.6243(3) 0.7508(2) -0.29113(19) 0.0387(8) Uani 1 1 d . . .
H72 H 0.6334 0.7302 -0.3427 0.046 Uiso 1 1 calc R U .
C73 C 0.6447(3) 0.8362(2) -0.2550(2) 0.0357(7) Uani 1 1 d . . .
H73 H 0.6688 0.8758 -0.2812 0.043 Uiso 1 1 calc R U .
C74 C 0.6304(2) 0.8666(2) -0.17869(19) 0.0281(6) Uani 1 1 d . . .
C75 C 0.6528(3) 0.9556(2) -0.1347(2) 0.0342(7) Uani 1 1 d . . .
H75 H 0.679 0.9981 -0.1573 0.041 Uiso 1 1 calc R U .
C76 C 0.6376(2) 0.98007(19) -0.0621(2) 0.0329(7) Uani 1 1 d . . .
H76 H 0.6559 1.0396 -0.0335 0.039 Uiso 1 1 calc R U .
C77 C 0.5943(2) 0.91823(18) -0.02705(18) 0.0257(6) Uani 1 1 d . . .
C78 C 0.5734(2) 0.93999(19) 0.04761(19) 0.0298(7) Uani 1 1 d . . .
H78 H 0.5901 0.9985 0.0789 0.036 Uiso 1 1 calc R U .
C79 C 0.5290(2) 0.8762(2) 0.07458(18) 0.0311(7) Uani 1 1 d . . .
H79 H 0.5116 0.89 0.1237 0.037 Uiso 1 1 calc R U .
C80 C 0.5093(2) 0.79056(19) 0.02929(17) 0.0268(6) Uani 1 1 d . . .
H80 H 0.4798 0.7467 0.0493 0.032 Uiso 1 1 calc R U .
C81 C 0.5711(2) 0.83043(17) -0.06859(17) 0.0209(5) Uani 1 1 d . . .
C82 C 0.5917(2) 0.80391(18) -0.14488(17) 0.0225(6) Uani 1 1 d . . .
C100 C -0.2734(5) 0.2195(3) -0.8250(3) 0.0887(14) Uani 1 1 d . . .
C101 C -0.2298(5) 0.2908(3) -0.7497(3) 0.0887(14) Uani 1 1 d . . .
H10A H -0.2871 0.315 -0.7367 0.133 Uiso 1 1 calc R U .
H10B H -0.1748 0.3354 -0.7555 0.133 Uiso 1 1 calc R U .
H10C H -0.1985 0.2696 -0.7066 0.133 Uiso 1 1 calc R U .
C102 C 0.0998(4) -0.1076(3) -0.2413(3) 0.0595(11) Uani 1 1 d . . .
C103 C 0.1058(5) -0.0628(4) -0.1601(3) 0.0819(16) Uani 1 1 d . . .
H10D H 0.0423 -0.0421 -0.1597 0.123 Uiso 1 1 calc R U .
H10E H 0.1696 -0.0138 -0.1376 0.123 Uiso 1 1 calc R U .
H10F H 0.1095 -0.102 -0.128 0.123 Uiso 1 1 calc R U .
C104 C -0.0230(4) -0.4260(4) -0.4200(4) 0.0773(16) Uani 1 1 d . . .
C105 C -0.0351(5) -0.3606(4) -0.4590(3) 0.0821(16) Uani 1 1 d . . .
H10G H -0.0051 -0.37 -0.5044 0.123 Uiso 1 1 calc R U .
H10H H 0.0025 -0.3036 -0.4207 0.123 Uiso 1 1 calc R U .
H10I H -0.1109 -0.3643 -0.4782 0.123 Uiso 1 1 calc R U .
C111 C 0.2069(3) 0.1274(3) -0.4423(2) 0.0480(10) Uani 1 1 d . . .
H111 H 0.2023 0.1343 -0.3893 0.058 Uiso 1 1 calc R U .
C112 C 1.2325(3) 0.7247(2) 0.1559(2) 0.0416(8) Uani 1 1 d . . .
H112 H 1.2421 0.716 0.2067 0.05 Uiso 1 1 calc R U .
C121 C 0.1544(3) 0.1633(3) -0.4961(3) 0.0525(10) Uani 1 1 d . . .
H121 H 0.1084 0.1987 -0.4862 0.063 Uiso 1 1 calc R U .
C122 C 1.1527(3) 0.6747(2) 0.0854(2) 0.0413(8) Uani 1 1 d . . .
H122 H 1.0981 0.6258 0.0805 0.05 Uiso 1 1 calc R U .
C131 C 0.1822(3) 0.1375(3) -0.5674(2) 0.0534(11) Uani 1 1 d . . .
H131 H 0.1584 0.1526 -0.6143 0.064 Uiso 1 1 calc R U .
C132 C 1.1658(3) 0.7083(2) 0.0229(2) 0.0369(8) Uani 1 1 d . . .
H132 H 1.1224 0.6863 -0.0311 0.044 Uiso 1 1 calc R U .
C141 C 0.2511(3) 0.0858(2) -0.5573(2) 0.0493(10) Uani 1 1 d . . .
H141 H 0.282 0.0593 -0.5961 0.059 Uiso 1 1 calc R U .
C142 C 1.2558(3) 0.7809(2) 0.0554(2) 0.0347(7) Uani 1 1 d . . .
H142 H 1.2836 0.8163 0.0269 0.042 Uiso 1 1 calc R U .
C151 C 0.2668(3) 0.0800(2) -0.4788(2) 0.0453(9) Uani 1 1 d . . .
H151 H 0.3103 0.0493 -0.4554 0.054 Uiso 1 1 calc R U .
C152 C 1.2967(2) 0.7913(2) 0.1369(2) 0.0375(8) Uani 1 1 d . . .
H152 H 1.3569 0.8352 0.1732 0.045 Uiso 1 1 calc R U .
C211 C 0.4005(2) 0.42567(17) -0.35241(15) 0.0216(6) Uani 1 1 d . . .
C212 C 0.8917(2) 0.71977(18) -0.02643(15) 0.0208(5) Uani 1 1 d . . .
C221 C 0.3028(2) 0.44052(18) -0.34890(16) 0.0245(6) Uani 1 1 d . . .
C222 C 0.8954(2) 0.6444(2) -0.07966(18) 0.0294(6) Uani 1 1 d . . .
C231 C 0.2724(3) 0.5027(2) -0.38048(18) 0.0310(7) Uani 1 1 d . . .
H231 H 0.2057 0.5136 -0.3789 0.037 Uiso 1 1 calc R U .
C232 C 0.8902(3) 0.6434(2) -0.15799(19) 0.0392(8) Uani 1 1 d . . .
H232 H 0.8944 0.5933 -0.1949 0.047 Uiso 1 1 calc R U .
C241 C 0.3373(3) 0.5493(2) -0.41428(18) 0.0311(7) Uani 1 1 d . . .
C242 C 0.8792(3) 0.7133(3) -0.18337(19) 0.0413(9) Uani 1 1 d . . .
C251 C 0.4351(3) 0.53428(19) -0.41468(17) 0.0298(7) Uani 1 1 d . . .
H251 H 0.4803 0.5666 -0.4369 0.036 Uiso 1 1 calc R U .
C252 C 0.8710(2) 0.7851(2) -0.12980(19) 0.0349(7) Uani 1 1 d . . .
H252 H 0.8623 0.8329 -0.1473 0.042 Uiso 1 1 calc R U .
C261 C 0.4694(2) 0.47317(18) -0.38347(16) 0.0242(6) Uani 1 1 d . . .
C262 C 0.8752(2) 0.79002(19) -0.05044(17) 0.0248(6) Uani 1 1 d . . .
C271 C 0.2330(3) 0.3925(2) -0.3106(2) 0.0364(7) Uani 1 1 d . . .
H27A H 0.2182 0.3306 -0.3363 0.055 Uiso 1 1 calc R U .
H27B H 0.1658 0.4086 -0.3171 0.055 Uiso 1 1 calc R U .
H27C H 0.2694 0.407 -0.2536 0.055 Uiso 1 1 calc R U .
C272 C 0.8981(3) 0.5640(2) -0.0568(2) 0.0431(9) Uani 1 1 d . . .
H27D H 0.8277 0.5226 -0.0802 0.065 Uiso 1 1 calc R U .
H27E H 0.9177 0.5783 0.0016 0.065 Uiso 1 1 calc R U .
H27F H 0.9509 0.539 -0.0769 0.065 Uiso 1 1 calc R U .
C281 C 0.3010(4) 0.6156(3) -0.4492(2) 0.0495(10) Uani 1 1 d . . .
H28A H 0.2771 0.5922 -0.5077 0.074 Uiso 1 1 calc R U .
H28B H 0.3604 0.6675 -0.4328 0.074 Uiso 1 1 calc R U .
H28C H 0.242 0.63 -0.4296 0.074 Uiso 1 1 calc R U .
C282 C 0.8759(4) 0.7103(4) -0.2688(2) 0.0663(13) Uani 1 1 d . . .
H28D H 0.8664 0.7645 -0.2768 0.099 Uiso 1 1 calc R U .
H28E H 0.8164 0.6625 -0.3061 0.099 Uiso 1 1 calc R U .
H28F H 0.9429 0.7022 -0.2786 0.099 Uiso 1 1 calc R U .
C291 C 0.5779(3) 0.4595(2) -0.38093(19) 0.0335(7) Uani 1 1 d . . .
H29A H 0.62 0.4737 -0.3251 0.05 Uiso 1 1 calc R U .
H29B H 0.6142 0.4965 -0.4067 0.05 Uiso 1 1 calc R U .
H29C H 0.57 0.3992 -0.4093 0.05 Uiso 1 1 calc R U .
C292 C 0.8574(3) 0.8651(2) 0.0056(2) 0.0328(7) Uani 1 1 d . . .
H29D H 0.7901 0.8469 0.0178 0.049 Uiso 1 1 calc R U .
H29E H 0.8542 0.9105 -0.0194 0.049 Uiso 1 1 calc R U .
H29F H 0.9161 0.8869 0.0553 0.049 Uiso 1 1 calc R U .
C311 C 0.4433(2) 0.15418(17) -0.30730(16) 0.0236(6) Uani 1 1 d . . .
C312 C 1.0214(2) 0.76694(19) 0.26375(16) 0.0239(6) Uani 1 1 d . . .
C321 C 0.3683(2) 0.11949(19) -0.27294(17) 0.0259(6) Uani 1 1 d . . .
C322 C 1.0598(2) 0.7037(2) 0.28978(18) 0.0308(7) Uani 1 1 d . . .
C331 C 0.3530(3) 0.03381(19) -0.27620(18) 0.0299(7) Uani 1 1 d . . .
H331 H 0.3003 0.0087 -0.2549 0.036 Uiso 1 1 calc R U .
C332 C 1.1169(3) 0.7260(2) 0.3702(2) 0.0418(9) Uani 1 1 d . . .
H332 H 1.145 0.6846 0.3889 0.05 Uiso 1 1 calc R U .
C341 C 0.4129(3) -0.01619(19) -0.30987(18) 0.0307(7) Uani 1 1 d . . .
C342 C 1.1337(3) 0.8060(3) 0.42310(19) 0.0458(9) Uani 1 1 d . . .
C351 C 0.4890(3) 0.0214(2) -0.34047(18) 0.0312(7) Uani 1 1 d . . .
H351 H 0.5309 -0.0121 -0.3628 0.037 Uiso 1 1 calc R U .
C352 C 1.0912(3) 0.8658(2) 0.39557(19) 0.0393(8) Uani 1 1 d . . .
H352 H 1.1012 0.9207 0.4322 0.047 Uiso 1 1 calc R U .
C361 C 0.5070(2) 0.10717(19) -0.33996(17) 0.0263(6) Uani 1 1 d . . .
C362 C 1.0342(2) 0.8476(2) 0.31550(17) 0.0280(6) Uani 1 1 d . . .
C371 C 0.3077(3) 0.1731(2) -0.2306(2) 0.0344(7) Uani 1 1 d . . .
H37A H 0.2522 0.1359 -0.2175 0.052 Uiso 1 1 calc R U .
H37B H 0.2747 0.2028 -0.2655 0.052 Uiso 1 1 calc R U .
H37C H 0.3567 0.2156 -0.1813 0.052 Uiso 1 1 calc R U .
C372 C 1.0400(3) 0.6138(2) 0.2359(2) 0.0389(8) Uani 1 1 d . . .
H37D H 1.1061 0.6064 0.2237 0.058 Uiso 1 1 calc R U .
H37E H 0.9849 0.6039 0.1861 0.058 Uiso 1 1 calc R U .
H37F H 1.0163 0.5726 0.2628 0.058 Uiso 1 1 calc R U .
C381 C 0.3952(3) -0.1085(2) -0.3096(2) 0.0391(8) Uani 1 1 d . . .
H38A H 0.4324 -0.138 -0.3442 0.059 Uiso 1 1 calc R U .
H38B H 0.3188 -0.1377 -0.3294 0.059 Uiso 1 1 calc R U .
H38C H 0.423 -0.1095 -0.2549 0.059 Uiso 1 1 calc R U .
C382 C 1.1973(4) 0.8286(3) 0.5097(2) 0.0718(15) Uani 1 1 d . . .
H38D H 1.1925 0.7761 0.5252 0.108 Uiso 1 1 calc R U .
H38E H 1.1686 0.868 0.5437 0.108 Uiso 1 1 calc R U .
H38F H 1.2721 0.8562 0.5163 0.108 Uiso 1 1 calc R U .
C391 C 0.5934(3) 0.1452(2) -0.3723(2) 0.0394(8) Uani 1 1 d . . .
H39A H 0.602 0.2071 -0.3607 0.059 Uiso 1 1 calc R U .
H39B H 0.5739 0.1178 -0.4303 0.059 Uiso 1 1 calc R U .
H39C H 0.6606 0.1353 -0.3469 0.059 Uiso 1 1 calc R U .
C392 C 0.9893(3) 0.9149(2) 0.2891(2) 0.0353(7) Uani 1 1 d . . .
H39D H 0.9635 0.8965 0.2306 0.053 Uiso 1 1 calc R U .
H39E H 1.0451 0.9694 0.3082 0.053 Uiso 1 1 calc R U .
H39F H 0.9301 0.9224 0.3114 0.053 Uiso 1 1 calc R U .
N3 N 0.57246(19) 0.71861(15) -0.18062(14) 0.0236(5) Uani 1 1 d . . .
N4 N 0.52991(18) 0.76782(15) -0.04026(14) 0.0219(5) Uani 1 1 d . . .
N7 N -0.3080(3) 0.1644(2) -0.8800(2) 0.0605(10) Uani 1 1 d . . .
N8 N 0.0951(4) -0.1437(3) -0.3043(3) 0.0810(13) Uani 1 1 d . . .
N9 N -0.0117(5) -0.4759(4) -0.3881(4) 0.1090(19) Uani 1 1 d . . .
N11 N 0.43421(18) 0.36197(14) -0.31902(13) 0.0205(5) Uani 1 1 d . . .
N12 N 0.89851(17) 0.72356(14) 0.05561(12) 0.0170(4) Uani 1 1 d . . .
N21 N 0.45703(19) 0.24375(14) -0.30273(13) 0.0225(5) Uani 1 1 d . . .
N22 N 0.95762(17) 0.74392(14) 0.18167(13) 0.0186(4) Uani 1 1 d . . .
O5 O 0.3377(2) 0.61160(16) -0.15573(15) 0.0444(6) Uani 1 1 d . . .
O6 O 0.42888(15) 0.58190(12) -0.05478(12) 0.0242(4) Uani 1 1 d . . .
O11 O 0.2967(2) 0.34977(15) -0.54247(13) 0.0415(6) Uani 1 1 d . . .
O12 O 1.10188(19) 0.92276(17) 0.02296(17) 0.0484(7) Uani 1 1 d . . .
O21 O 0.5150(2) 0.2138(2) -0.52899(17) 0.0587(8) Uani 1 1 d . . .
O22 O 1.2185(2) 0.95199(16) 0.26054(14) 0.0476(7) Uani 1 1 d . . .
O31 O 0.55682(15) 0.46186(12) -0.10426(11) 0.0231(4) Uani 1 1 d . . .
O32 O 0.63909(15) 0.60847(13) 0.05954(11) 0.0246(4) Uani 1 1 d . . .
O41 O 0.51871(18) 0.53115(12) -0.19457(11) 0.0280(5) Uani 1 1 d . . .
O42 O 0.67617(15) 0.66166(13) -0.03727(11) 0.0242(4) Uani 1 1 d . . .
Mn1 Mn 0.32455(4) 0.21184(3) -0.47478(2) 0.02522(11) Uani 1 1 d . . .
Mn2 Mn 1.13931(3) 0.80506(3) 0.11501(2) 0.02010(10) Uani 1 1 d . . .
Zn1 Zn 0.5 0.5 0 0.02975(12) Uani 1 2 d S . P
Zn2 Zn 0.52862(3) 0.64089(2) -0.11080(2) 0.02082(8) Uani 1 1 d . . .
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 0 '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 0.006 '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'
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
O5 C7 O6 119.6(3) . .
O5 C7 C8 122.3(3) . .
O6 C7 C8 118.1(3) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O11 C11 Mn1 169.2(3) . .
O12 C12 Mn2 172.8(3) . .
O21 C21 Mn1 175.8(3) . .
O22 C22 Mn2 171.6(3) . .
N11 C31 N21 101.9(2) . .
N11 C31 Mn1 129.9(2) . .
N21 C31 Mn1 128.14(19) . .
N12 C32 N22 102.5(2) . .
N12 C32 Mn2 129.19(19) . .
N22 C32 Mn2 128.07(19) . .
C51 C41 N11 105.9(2) . .
C51 C41 C61 126.4(2) . .
N11 C41 C61 127.4(2) . .
C52 C42 N12 105.7(2) . .
C52 C42 C62 128.1(2) . .
N12 C42 C62 126.2(2) . .
C41 C51 N21 107.7(2) . .
C41 C51 H51 126.1 . .
N21 C51 H51 126.1 . .
C42 C52 N22 108.2(2) . .
C42 C52 H52 125.9 . .
N22 C52 H52 125.9 . .
O31 C61 O41 126.8(3) . .
O31 C61 C41 115.3(2) . .
O41 C61 C41 117.8(2) . .
O42 C62 O32 127.5(2) . .
O42 C62 C42 117.2(2) . .
O32 C62 C42 115.3(2) . .
N3 C71 C72 121.9(3) . .
N3 C71 H71 119.1 . .
C72 C71 H71 119.1 . .
C73 C72 C71 119.5(3) . .
C73 C72 H72 120.2 . .
C71 C72 H72 120.2 . .
C72 C73 C74 120.2(3) . .
C72 C73 H73 119.9 . .
C74 C73 H73 119.9 . .
C82 C74 C73 116.5(3) . .
C82 C74 C75 119.1(3) . .
C73 C74 C75 124.3(3) . .
C76 C75 C74 121.2(3) . .
C76 C75 H75 119.4 . .
C74 C75 H75 119.4 . .
C75 C76 C77 121.3(3) . .
C75 C76 H76 119.3 . .
C77 C76 H76 119.3 . .
C81 C77 C78 117.1(3) . .
C81 C77 C76 118.9(3) . .
C78 C77 C76 123.9(3) . .
C79 C78 C77 119.3(3) . .
C79 C78 H78 120.3 . .
C77 C78 H78 120.3 . .
C78 C79 C80 119.4(3) . .
C78 C79 H79 120.3 . .
C80 C79 H79 120.3 . .
N4 C80 C79 122.8(3) . .
N4 C80 H80 118.6 . .
C79 C80 H80 118.6 . .
N4 C81 C77 123.0(3) . .
N4 C81 C82 117.1(2) . .
C77 C81 C82 119.9(3) . .
N3 C82 C74 123.2(3) . .
N3 C82 C81 117.4(2) . .
C74 C82 C81 119.4(3) . .
N7 C100 C101 177.4(7) . .
C100 C101 H10A 109.5 . .
C100 C101 H10B 109.5 . .
H10A C101 H10B 109.5 . .
C100 C101 H10C 109.5 . .
H10A C101 H10C 109.5 . .
H10B C101 H10C 109.5 . .
N8 C102 C103 178.9(6) . .
C102 C103 H10D 109.5 . .
C102 C103 H10E 109.5 . .
H10D C103 H10E 109.5 . .
C102 C103 H10F 109.5 . .
H10D C103 H10F 109.5 . .
H10E C103 H10F 109.5 . .
N9 C104 C105 178.5(7) . .
C104 C105 H10G 109.5 . .
C104 C105 H10H 109.5 . .
H10G C105 H10H 109.5 . .
C104 C105 H10I 109.5 . .
H10G C105 H10I 109.5 . .
H10H C105 H10I 109.5 . .
C151 C111 C121 109.0(4) . .
C151 C111 Mn1 70.7(2) . .
C121 C111 Mn1 70.8(2) . .
C151 C111 H111 125.5 . .
C121 C111 H111 125.5 . .
Mn1 C111 H111 124.7 . .
C122 C112 C152 107.0(3) . .
C122 C112 Mn2 71.19(19) . .
C152 C112 Mn2 69.19(18) . .
C122 C112 H112 126.5 . .
C152 C112 H112 126.5 . .
Mn2 C112 H112 124.7 . .
C111 C121 C131 107.5(4) . .
C111 C121 Mn1 71.7(2) . .
C131 C121 Mn1 69.6(2) . .
C111 C121 H121 126.2 . .
C131 C121 H121 126.2 . .
Mn1 C121 H121 124.1 . .
C112 C122 C132 109.3(3) . .
C112 C122 Mn2 71.1(2) . .
C132 C122 Mn2 70.57(18) . .
C112 C122 H122 125.4 . .
C132 C122 H122 125.4 . .
Mn2 C122 H122 124.6 . .
C141 C131 C121 108.2(3) . .
C141 C131 Mn1 70.9(2) . .
C121 C131 Mn1 72.3(2) . .
C141 C131 H131 125.9 . .
C121 C131 H131 125.9 . .
Mn1 C131 H131 122.6 . .
C122 C132 C142 107.3(3) . .
C122 C132 Mn2 71.29(19) . .
C142 C132 Mn2 69.67(18) . .
C122 C132 H132 126.4 . .
C142 C132 H132 126.4 . .
Mn2 C132 H132 124.3 . .
C131 C141 C151 107.8(4) . .
C131 C141 Mn1 70.8(2) . .
C151 C141 Mn1 71.80(19) . .
C131 C141 H141 126.1 . .
C151 C141 H141 126.1 . .
Mn1 C141 H141 123 . .
C152 C142 C132 108.1(3) . .
C152 C142 Mn2 70.65(18) . .
C132 C142 Mn2 71.71(18) . .
C152 C142 H142 125.9 . .
C132 C142 H142 125.9 . .
Mn2 C142 H142 123.3 . .
C111 C151 C141 107.5(4) . .
C111 C151 Mn1 72.0(2) . .
C141 C151 Mn1 69.7(2) . .
C111 C151 H151 126.2 . .
C141 C151 H151 126.2 . .
Mn1 C151 H151 123.7 . .
C142 C152 C112 108.4(3) . .
C142 C152 Mn2 70.83(18) . .
C112 C152 Mn2 71.98(18) . .
C142 C152 H152 125.8 . .
C112 C152 H152 125.8 . .
Mn2 C152 H152 123 . .
C221 C211 C261 122.1(3) . .
C221 C211 N11 118.8(2) . .
C261 C211 N11 119.0(3) . .
C262 C212 C222 122.3(3) . .
C262 C212 N12 118.4(2) . .
C222 C212 N12 119.2(2) . .
C211 C221 C231 118.0(3) . .
C211 C221 C271 121.2(3) . .
C231 C221 C271 120.8(3) . .
C232 C222 C212 117.6(3) . .
C232 C222 C272 119.8(3) . .
C212 C222 C272 122.5(3) . .
C241 C231 C221 121.6(3) . .
C241 C231 H231 119.2 . .
C221 C231 H231 119.2 . .
C242 C232 C222 121.9(3) . .
C242 C232 H232 119.1 . .
C222 C232 H232 119.1 . .
C251 C241 C231 118.7(3) . .
C251 C241 C281 121.1(3) . .
C231 C241 C281 120.2(3) . .
C252 C242 C232 118.7(3) . .
C252 C242 C282 121.1(4) . .
C232 C242 C282 120.3(4) . .
C241 C251 C261 121.9(3) . .
C241 C251 H251 119 . .
C261 C251 H251 119 . .
C242 C252 C262 122.3(3) . .
C242 C252 H252 118.9 . .
C262 C252 H252 118.9 . .
C251 C261 C211 117.7(3) . .
C251 C261 C291 121.8(3) . .
C211 C261 C291 120.5(3) . .
C212 C262 C252 117.1(3) . .
C212 C262 C292 120.7(3) . .
C252 C262 C292 122.1(3) . .
C221 C271 H27A 109.5 . .
C221 C271 H27B 109.5 . .
H27A C271 H27B 109.5 . .
C221 C271 H27C 109.5 . .
H27A C271 H27C 109.5 . .
H27B C271 H27C 109.5 . .
C222 C272 H27D 109.5 . .
C222 C272 H27E 109.5 . .
H27D C272 H27E 109.5 . .
C222 C272 H27F 109.5 . .
H27D C272 H27F 109.5 . .
H27E C272 H27F 109.5 . .
C241 C281 H28A 109.5 . .
C241 C281 H28B 109.5 . .
H28A C281 H28B 109.5 . .
C241 C281 H28C 109.5 . .
H28A C281 H28C 109.5 . .
H28B C281 H28C 109.5 . .
C242 C282 H28D 109.5 . .
C242 C282 H28E 109.5 . .
H28D C282 H28E 109.5 . .
C242 C282 H28F 109.5 . .
H28D C282 H28F 109.5 . .
H28E C282 H28F 109.5 . .
C261 C291 H29A 109.5 . .
C261 C291 H29B 109.5 . .
H29A C291 H29B 109.5 . .
C261 C291 H29C 109.5 . .
H29A C291 H29C 109.5 . .
H29B C291 H29C 109.5 . .
C262 C292 H29D 109.5 . .
C262 C292 H29E 109.5 . .
H29D C292 H29E 109.5 . .
C262 C292 H29F 109.5 . .
H29D C292 H29F 109.5 . .
H29E C292 H29F 109.5 . .
C361 C311 C321 122.0(3) . .
C361 C311 N21 121.3(3) . .
C321 C311 N21 116.6(2) . .
C362 C312 C322 122.3(3) . .
C362 C312 N22 119.1(3) . .
C322 C312 N22 118.3(3) . .
C331 C321 C311 118.2(3) . .
C331 C321 C371 120.1(3) . .
C311 C321 C371 121.7(3) . .
C332 C322 C312 117.4(3) . .
C332 C322 C372 119.4(3) . .
C312 C322 C372 123.1(3) . .
C321 C331 C341 121.7(3) . .
C321 C331 H331 119.1 . .
C341 C331 H331 119.1 . .
C342 C332 C322 122.1(3) . .
C342 C332 H332 119 . .
C322 C332 H332 119 . .
C351 C341 C331 118.3(3) . .
C351 C341 C381 122.2(3) . .
C331 C341 C381 119.5(3) . .
C332 C342 C352 118.7(3) . .
C332 C342 C382 120.8(4) . .
C352 C342 C382 120.5(4) . .
C341 C351 C361 122.6(3) . .
C341 C351 H351 118.7 . .
C361 C351 H351 118.7 . .
C342 C352 C362 121.9(3) . .
C342 C352 H352 119 . .
C362 C352 H352 119 . .
C311 C361 C351 117.1(3) . .
C311 C361 C391 122.9(3) . .
C351 C361 C391 120.0(3) . .
C312 C362 C352 117.5(3) . .
C312 C362 C392 122.9(3) . .
C352 C362 C392 119.6(3) . .
C321 C371 H37A 109.5 . .
C321 C371 H37B 109.5 . .
H37A C371 H37B 109.5 . .
C321 C371 H37C 109.5 . .
H37A C371 H37C 109.5 . .
H37B C371 H37C 109.5 . .
C322 C372 H37D 109.5 . .
C322 C372 H37E 109.5 . .
H37D C372 H37E 109.5 . .
C322 C372 H37F 109.5 . .
H37D C372 H37F 109.5 . .
H37E C372 H37F 109.5 . .
C341 C381 H38A 109.5 . .
C341 C381 H38B 109.5 . .
H38A C381 H38B 109.5 . .
C341 C381 H38C 109.5 . .
H38A C381 H38C 109.5 . .
H38B C381 H38C 109.5 . .
C342 C382 H38D 109.5 . .
C342 C382 H38E 109.5 . .
H38D C382 H38E 109.5 . .
C342 C382 H38F 109.5 . .
H38D C382 H38F 109.5 . .
H38E C382 H38F 109.5 . .
C361 C391 H39A 109.5 . .
C361 C391 H39B 109.5 . .
H39A C391 H39B 109.5 . .
C361 C391 H39C 109.5 . .
H39A C391 H39C 109.5 . .
H39B C391 H39C 109.5 . .
C362 C392 H39D 109.5 . .
C362 C392 H39E 109.5 . .
H39D C392 H39E 109.5 . .
C362 C392 H39F 109.5 . .
H39D C392 H39F 109.5 . .
H39E C392 H39F 109.5 . .
C71 N3 C82 118.6(3) . .
C71 N3 Zn2 126.7(2) . .
C82 N3 Zn2 114.53(18) . .
C80 N4 C81 118.3(2) . .
C80 N4 Zn2 128.53(19) . .
C81 N4 Zn2 112.55(18) . .
C31 N11 C41 112.3(2) . .
C31 N11 C211 124.4(2) . .
C41 N11 C211 123.3(2) . .
C32 N12 C42 112.1(2) . .
C32 N12 C212 124.2(2) . .
C42 N12 C212 123.6(2) . .
C51 N21 C31 112.1(2) . .
C51 N21 C311 119.6(2) . .
C31 N21 C311 127.2(2) . .
C52 N22 C32 111.5(2) . .
C52 N22 C312 120.9(2) . .
C32 N22 C312 127.6(2) . .
C7 O5 Zn2 84.54(18) . .
C7 O6 Zn2 98.21(18) . .
C7 O6 Zn1 139.43(18) . .
Zn2 O6 Zn1 110.76(9) . .
C61 O31 Zn1 132.08(18) . .
C62 O32 Zn1 128.96(17) . .
C61 O41 Zn2 119.62(17) . .
C62 O42 Zn2 127.80(18) . .
C21 Mn1 C11 89.24(15) . .
C21 Mn1 C31 92.10(13) . .
C11 Mn1 C31 98.64(12) . .
C21 Mn1 C131 113.94(17) . .
C11 Mn1 C131 87.98(15) . .
C31 Mn1 C131 153.30(15) . .
C21 Mn1 C141 90.17(17) . .
C11 Mn1 C141 118.43(14) . .
C31 Mn1 C141 142.90(14) . .
C131 Mn1 C141 38.29(16) . .
C21 Mn1 C151 103.78(16) . .
C11 Mn1 C151 151.84(14) . .
C31 Mn1 C151 105.60(12) . .
C131 Mn1 C151 63.96(14) . .
C141 Mn1 C151 38.46(14) . .
C21 Mn1 C121 151.60(16) . .
C11 Mn1 C121 93.57(16) . .
C31 Mn1 C121 115.31(14) . .
C131 Mn1 C121 38.12(16) . .
C141 Mn1 C121 63.72(17) . .
C151 Mn1 C121 63.27(16) . .
C21 Mn1 C111 140.36(17) . .
C11 Mn1 C111 128.52(16) . .
C31 Mn1 C111 93.19(12) . .
C131 Mn1 C111 63.27(14) . .
C141 Mn1 C111 63.25(16) . .
C151 Mn1 C111 37.33(16) . .
C121 Mn1 C111 37.59(15) . .
C22 Mn2 C12 90.46(15) . .
C22 Mn2 C32 97.95(12) . .
C12 Mn2 C32 97.14(12) . .
C22 Mn2 C152 89.75(15) . .
C12 Mn2 C152 116.46(13) . .
C32 Mn2 C152 145.51(12) . .
C22 Mn2 C142 117.70(14) . .
C12 Mn2 C142 88.75(14) . .
C32 Mn2 C142 143.86(12) . .
C152 Mn2 C142 38.52(13) . .
C22 Mn2 C132 153.98(14) . .
C12 Mn2 C132 97.97(14) . .
C32 Mn2 C132 105.30(12) . .
C152 Mn2 C132 64.44(14) . .
C142 Mn2 C132 38.61(13) . .
C22 Mn2 C112 98.28(15) . .
C12 Mn2 C112 153.10(14) . .
C32 Mn2 C112 106.69(12) . .
C152 Mn2 C112 38.83(13) . .
C142 Mn2 C112 64.63(13) . .
C132 Mn2 C112 64.15(15) . .
C22 Mn2 C122 134.01(15) . .
C12 Mn2 C122 134.36(15) . .
C32 Mn2 C122 87.51(12) . .
C152 Mn2 C122 63.93(14) . .
C142 Mn2 C122 64.07(13) . .
C132 Mn2 C122 38.14(14) . .
C112 Mn2 C122 37.76(15) . .
O6 Zn1 O6 180 2_665 .
O6 Zn1 O32 92.49(7) 2_665 .
O6 Zn1 O32 87.51(7) . .
O6 Zn1 O32 87.51(7) 2_665 2_665
O6 Zn1 O32 92.49(7) . 2_665
O32 Zn1 O32 180 . 2_665
O6 Zn1 O31 92.37(7) 2_665 .
O6 Zn1 O31 87.63(7) . .
O32 Zn1 O31 92.10(7) . .
O32 Zn1 O31 87.90(7) 2_665 .
O6 Zn1 O31 87.62(7) 2_665 2_665
O6 Zn1 O31 92.37(7) . 2_665
O32 Zn1 O31 87.90(7) . 2_665
O32 Zn1 O31 92.10(7) 2_665 2_665
O31 Zn1 O31 180 . 2_665
O41 Zn2 O42 100.10(8) . .
O41 Zn2 O6 95.23(8) . .
O42 Zn2 O6 103.10(8) . .
O41 Zn2 N3 93.18(9) . .
O42 Zn2 N3 97.61(8) . .
O6 Zn2 N3 155.87(9) . .
O41 Zn2 N4 168.90(8) . .
O42 Zn2 N4 87.01(8) . .
O6 Zn2 N4 91.40(8) . .
N3 Zn2 N4 77.33(9) . .
O41 Zn2 O5 89.24(9) . .
O42 Zn2 O5 159.57(8) . .
O6 Zn2 O5 57.64(8) . .
N3 Zn2 O5 99.98(9) . .
N4 Zn2 O5 86.79(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C7 O5 1.239(4) .
C7 O6 1.288(4) .
C7 C8 1.491(5) .
C8 H8A 0.98 .
C8 H8B 0.98 .
C8 H8C 0.98 .
C11 O11 1.161(4) .
C11 Mn1 1.770(3) .
C12 O12 1.165(4) .
C12 Mn2 1.767(3) .
C21 O21 1.166(4) .
C21 Mn1 1.757(4) .
C22 O22 1.159(4) .
C22 Mn2 1.765(3) .
C31 N11 1.372(3) .
C31 N21 1.385(3) .
C31 Mn1 2.012(3) .
C32 N12 1.373(3) .
C32 N22 1.382(3) .
C32 Mn2 1.998(3) .
C41 C51 1.334(4) .
C41 N11 1.408(3) .
C41 C61 1.489(4) .
C42 C52 1.340(4) .
C42 N12 1.401(3) .
C42 C62 1.486(4) .
C51 N21 1.381(3) .
C51 H51 0.95 .
C52 N22 1.377(3) .
C52 H52 0.95 .
C61 O31 1.258(3) .
C61 O41 1.262(3) .
C62 O42 1.249(3) .
C62 O32 1.263(3) .
C71 N3 1.328(4) .
C71 C72 1.413(5) .
C71 H71 0.95 .
C72 C73 1.353(5) .
C72 H72 0.95 .
C73 C74 1.412(5) .
C73 H73 0.95 .
C74 C82 1.408(4) .
C74 C75 1.432(4) .
C75 C76 1.342(5) .
C75 H75 0.95 .
C76 C77 1.434(4) .
C76 H76 0.95 .
C77 C81 1.404(4) .
C77 C78 1.408(4) .
C78 C79 1.365(5) .
C78 H78 0.95 .
C79 C80 1.396(4) .
C79 H79 0.95 .
C80 N4 1.322(4) .
C80 H80 0.95 .
C81 N4 1.350(3) .
C81 C82 1.440(4) .
C82 N3 1.353(4) .
C100 N7 1.100(5) .
C100 C101 1.468(6) .
C101 H10A 0.98 .
C101 H10B 0.98 .
C101 H10C 0.98 .
C102 N8 1.126(6) .
C102 C103 1.441(7) .
C103 H10D 0.98 .
C103 H10E 0.98 .
C103 H10F 0.98 .
C104 N9 1.143(8) .
C104 C105 1.458(9) .
C105 H10G 0.98 .
C105 H10H 0.98 .
C105 H10I 0.98 .
C111 C151 1.389(6) .
C111 C121 1.400(6) .
C111 Mn1 2.178(4) .
C111 H111 0.95 .
C112 C122 1.399(5) .
C112 C152 1.425(5) .
C112 Mn2 2.161(3) .
C112 H112 0.95 .
C121 C131 1.404(6) .
C121 Mn1 2.167(4) .
C121 H121 0.95 .
C122 C132 1.410(5) .
C122 Mn2 2.163(3) .
C122 H122 0.95 .
C131 C141 1.399(6) .
C131 Mn1 2.133(3) .
C131 H131 0.95 .
C132 C142 1.415(5) .
C132 Mn2 2.153(3) .
C132 H132 0.95 .
C141 C151 1.415(5) .
C141 Mn1 2.134(3) .
C141 H141 0.95 .
C142 C152 1.402(5) .
C142 Mn2 2.126(3) .
C142 H142 0.95 .
C151 Mn1 2.161(3) .
C151 H151 0.95 .
C152 Mn2 2.124(3) .
C152 H152 0.95 .
C211 C221 1.390(4) .
C211 C261 1.397(4) .
C211 N11 1.448(3) .
C212 C262 1.391(4) .
C212 C222 1.396(4) .
C212 N12 1.447(3) .
C221 C231 1.392(4) .
C221 C271 1.502(4) .
C222 C232 1.395(4) .
C222 C272 1.506(5) .
C231 C241 1.390(5) .
C231 H231 0.95 .
C232 C242 1.380(5) .
C232 H232 0.95 .
C241 C251 1.383(5) .
C241 C281 1.515(4) .
C242 C252 1.378(5) .
C242 C282 1.520(5) .
C251 C261 1.392(4) .
C251 H251 0.95 .
C252 C262 1.401(4) .
C252 H252 0.95 .
C261 C291 1.506(4) .
C262 C292 1.497(4) .
C271 H27A 0.98 .
C271 H27B 0.98 .
C271 H27C 0.98 .
C272 H27D 0.98 .
C272 H27E 0.98 .
C272 H27F 0.98 .
C281 H28A 0.98 .
C281 H28B 0.98 .
C281 H28C 0.98 .
C282 H28D 0.98 .
C282 H28E 0.98 .
C282 H28F 0.98 .
C291 H29A 0.98 .
C291 H29B 0.98 .
C291 H29C 0.98 .
C292 H29D 0.98 .
C292 H29E 0.98 .
C292 H29F 0.98 .
C311 C361 1.395(4) .
C311 C321 1.396(4) .
C311 N21 1.450(3) .
C312 C362 1.385(4) .
C312 C322 1.403(4) .
C312 N22 1.445(3) .
C321 C331 1.390(4) .
C321 C371 1.505(4) .
C322 C332 1.395(4) .
C322 C372 1.503(5) .
C331 C341 1.392(4) .
C331 H331 0.95 .
C332 C342 1.374(5) .
C332 H332 0.95 .
C341 C351 1.379(5) .
C341 C381 1.515(4) .
C342 C352 1.388(5) .
C342 C382 1.514(5) .
C351 C361 1.403(4) .
C351 H351 0.95 .
C352 C362 1.399(4) .
C352 H352 0.95 .
C361 C391 1.507(5) .
C362 C392 1.507(5) .
C371 H37A 0.98 .
C371 H37B 0.98 .
C371 H37C 0.98 .
C372 H37D 0.98 .
C372 H37E 0.98 .
C372 H37F 0.98 .
C381 H38A 0.98 .
C381 H38B 0.98 .
C381 H38C 0.98 .
C382 H38D 0.98 .
C382 H38E 0.98 .
C382 H38F 0.98 .
C391 H39A 0.98 .
C391 H39B 0.98 .
C391 H39C 0.98 .
C392 H39D 0.98 .
C392 H39E 0.98 .
C392 H39F 0.98 .
N3 Zn2 2.113(2) .
N4 Zn2 2.175(2) .
O5 Zn2 2.408(3) .
O6 Zn2 2.0839(19) .
O6 Zn1 2.1331(19) .
O31 Zn1 2.1772(19) .
O32 Zn1 2.1623(18) .
O41 Zn2 2.0195(19) .
O42 Zn2 2.0267(19) .
Zn1 O6 2.1331(19) 2_665
Zn1 O32 2.1624(19) 2_665
Zn1 O31 2.1772(19) 2_665
