#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:04:51 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179555 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/24/4502451.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_4502451
loop_
_publ_author_name
'He, Haiyan'
'Collins, David'
'Dai, Fangna'
'Zhao, Xiaoliang'
'Zhang, Guoqing'
'Ma, Huiqing'
'Sun, Daofeng'
_publ_section_title
;
 Construction of Metal−Organic Frameworks with 1D Chain, 2D Grid,
 and 3D Porous Framework Based on a Flexible Imidazole Ligand and Rigid
 Benzenedicarboxylates
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              895
_journal_paper_doi               10.1021/cg901227h
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C200 H196 N32 O34 S0 Zn8'
_chemical_formula_weight         4114.85
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.7077(11)
_cell_length_b                   24.8114(15)
_cell_length_c                   21.5264(13)
_cell_measurement_reflns_used    2956
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      20.16
_cell_measurement_theta_min      2.51
_cell_volume                     9991.8(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1066
_diffrn_reflns_av_sigmaI/netI    0.1100
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            58006
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    1.022
_exptl_absorpt_correction_T_max  0.9047
_exptl_absorpt_correction_T_min  0.8619
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4264
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.116
_refine_diff_density_min         -0.578
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.905
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     706
_refine_ls_number_reflns         11755
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.905
_refine_ls_R_factor_all          0.1361
_refine_ls_R_factor_gt           0.0579
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0750P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1367
_refine_ls_wR_factor_ref         0.1615
_reflns_number_gt                5471
_reflns_number_total             11755
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg901227h_si_003.cif
_cod_data_source_block           squeezed
_cod_original_sg_symbol_H-M      Pnma
_cod_database_code               4502451
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
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
Zn2 Zn 0.72819(3) 0.7500 0.15602(3) 0.03674(18) Uani 1 2 d S
Zn1 Zn 1.22939(3) 0.7500 -0.02945(3) 0.03604(19) Uani 1 2 d S
Zn3 Zn 1.23872(2) 0.46442(2) 0.14411(2) 0.04100(16) Uani 1 1 d .
O6 O 1.1161(2) 0.7500 -0.0978(2) 0.0504(12) Uani 1 2 d S
O5 O 1.1290(2) 0.7500 0.00466(19) 0.0413(10) Uani 1 2 d S
O8 O 0.8977(2) 0.7500 0.13153(19) 0.0490(11) Uani 1 2 d S
O7 O 0.7937(2) 0.7500 0.08114(17) 0.0392(10) Uani 1 2 d S
O1 O 1.2917(2) 0.7500 0.04564(19) 0.0442(11) Uani 1 2 d S
O2 O 1.3966(2) 0.7500 -0.00444(19) 0.0504(12) Uani 1 2 d S
O3 O 1.6273(2) 0.7500 0.12034(19) 0.0429(10) Uani 1 2 d S
O4 O 1.6164(2) 0.7500 0.2221(2) 0.0645(14) Uani 1 2 d S
O12 O 0.80125(15) 0.44381(13) 0.28802(14) 0.0568(9) Uani 1 1 d .
O11 O 0.88322(17) 0.49176(14) 0.33789(15) 0.0589(9) Uani 1 1 d .
O9 O 1.14455(16) 0.43299(13) 0.15804(15) 0.0564(9) Uani 1 1 d .
O10 O 1.13393(17) 0.48467(14) 0.24237(16) 0.0658(10) Uani 1 1 d .
N1 N 0.75070(17) 0.67603(15) 0.18970(17) 0.0436(9) Uani 1 1 d .
N3 N 1.21909(19) 0.54067(15) 0.12088(18) 0.0479(10) Uani 1 1 d .
N7 N 1.74410(18) 0.31708(15) 0.07660(16) 0.0445(9) Uani 1 1 d .
N5 N 1.26947(18) 0.41474(14) 0.07488(17) 0.0443(9) Uani 1 1 d .
C9 C 1.0901(3) 0.7500 -0.0448(3) 0.0369(14) Uani 1 2 d S
C10 C 1.0106(3) 0.7500 -0.0378(3) 0.0360(14) Uani 1 2 d S
C11 C 0.9695(3) 0.7500 -0.0918(3) 0.0422(16) Uani 1 2 d S
C12 C 0.8963(4) 0.7500 -0.0889(4) 0.053(2) Uani 1 2 d S
C13 C 0.8619(4) 0.7500 -0.0334(3) 0.0466(17) Uani 1 2 d S
C14 C 0.9003(3) 0.7500 0.0218(3) 0.0351(14) Uani 1 2 d S
C16 C 0.9754(3) 0.7500 0.0192(3) 0.0346(14) Uani 1 2 d S
C15 C 0.8624(3) 0.7500 0.0834(3) 0.0363(14) Uani 1 2 d S
C7 C 1.3615(3) 0.7500 0.0441(3) 0.0384(15) Uani 1 2 d S
C6 C 1.3979(3) 0.7500 0.1060(3) 0.0367(14) Uani 1 2 d S
C5 C 1.3605(3) 0.7500 0.1601(3) 0.0463(17) Uani 1 2 d S
C4 C 1.3955(3) 0.7500 0.2169(3) 0.0544(19) Uani 1 2 d S
C3 C 1.4687(3) 0.7500 0.2184(3) 0.0476(17) Uani 1 2 d S
C2 C 1.5093(3) 0.7500 0.1644(3) 0.0356(14) Uani 1 2 d S
C8 C 1.4727(3) 0.7500 0.1079(3) 0.0360(15) Uani 1 2 d S
C1 C 1.5903(3) 0.7500 0.1699(3) 0.0399(15) Uani 1 2 d S
C28 C 0.8650(3) 0.5584(2) 0.1932(3) 0.0696(16) Uani 1 1 d .
H28A H 0.8446 0.5225 0.1903 0.084 Uiso 1 1 calc R
H28B H 0.8928 0.5602 0.2311 0.084 Uiso 1 1 calc R
C29 C 0.9129(3) 0.56795(19) 0.1386(3) 0.0561(13) Uani 1 1 d .
C30 C 0.8939(3) 0.5483(2) 0.0804(3) 0.0618(14) Uani 1 1 d .
C32 C 0.9379(3) 0.5586(2) 0.0299(3) 0.0724(16) Uani 1 1 d .
H32 H 0.9258 0.5446 -0.0088 0.087 Uiso 1 1 calc R
C33 C 0.9994(3) 0.5894(2) 0.0358(3) 0.0680(16) Uani 1 1 d .
C35 C 1.0185(3) 0.61010(19) 0.0941(3) 0.0596(15) Uani 1 1 d .
C37 C 0.9761(3) 0.59829(19) 0.1457(3) 0.0556(13) Uani 1 1 d .
C36 C 1.0845(2) 0.6445(2) 0.1001(3) 0.0781(18) Uani 1 1 d .
H36A H 1.0885 0.6677 0.0640 0.094 Uiso 1 1 calc R
H36B H 1.0803 0.6672 0.1366 0.094 Uiso 1 1 calc R
N2 N 0.8064(2) 0.59856(16) 0.19600(18) 0.0523(10) Uani 1 1 d .
C25 C 0.8102(3) 0.6498(2) 0.1784(3) 0.0563(14) Uani 1 1 d .
C27 C 0.7399(3) 0.5912(2) 0.2203(2) 0.0639(15) Uani 1 1 d .
H27 H 0.7214 0.5595 0.2368 0.077 Uiso 1 1 calc R
C26 C 0.7065(3) 0.6390(2) 0.2155(2) 0.0599(14) Uani 1 1 d .
H26 H 0.6598 0.6457 0.2281 0.072 Uiso 1 1 calc R
N4 N 1.1499(2) 0.61090(15) 0.1053(2) 0.0563(11) Uani 1 1 d .
C39 C 1.1525(2) 0.5584(2) 0.1176(2) 0.0552(13) Uani 1 1 d .
H39 H 1.1124 0.5368 0.1231 0.066 Uiso 1 1 calc R
C41 C 1.2198(3) 0.6279(2) 0.1005(3) 0.0669(16) Uani 1 1 d .
H41 H 1.2353 0.6627 0.0918 0.080 Uiso 1 1 calc R
C40 C 1.2614(3) 0.5847(2) 0.1107(2) 0.0590(14) Uani 1 1 d .
H40 H 1.3111 0.5848 0.1108 0.071 Uiso 1 1 calc R
N6 N 1.33886(18) 0.36195(15) 0.01970(18) 0.0483(10) Uani 1 1 d .
C42 C 1.3359(2) 0.40095(19) 0.0620(2) 0.0504(12) Uani 1 1 d .
H42 H 1.3758 0.4166 0.0802 0.061 Uiso 1 1 calc R
C44 C 1.2705(2) 0.3494(2) 0.0043(2) 0.0599(14) Uani 1 1 d .
H44 H 1.2557 0.3239 -0.0247 0.072 Uiso 1 1 calc R
C43 C 1.2284(2) 0.3813(2) 0.0391(2) 0.0586(14) Uani 1 1 d .
H43 H 1.1787 0.3807 0.0389 0.070 Uiso 1 1 calc R
C45 C 1.4047(3) 0.3346(2) -0.0020(3) 0.0670(15) Uani 1 1 d .
H45A H 1.3989 0.3240 -0.0451 0.080 Uiso 1 1 calc R
H45B H 1.4125 0.3023 0.0224 0.080 Uiso 1 1 calc R
C46 C 1.4685(2) 0.37146(19) 0.0040(2) 0.0469(12) Uani 1 1 d .
C47 C 1.4876(3) 0.4054(2) -0.0455(2) 0.0644(15) Uani 1 1 d .
C50 C 1.5816(3) 0.4428(2) 0.0157(3) 0.0614(15) Uani 1 1 d .
C49 C 1.5438(3) 0.4402(2) -0.0392(3) 0.0712(16) Uani 1 1 d .
C52 C 1.5631(2) 0.4097(2) 0.0652(2) 0.0497(12) Uani 1 1 d .
C54 C 1.5070(2) 0.37264(19) 0.0594(2) 0.0475(12) Uani 1 1 d .
C57 C 1.7795(3) 0.3455(2) 0.1206(2) 0.0658(16) Uani 1 1 d .
H57 H 1.8265 0.3394 0.1327 0.079 Uiso 1 1 calc R
C58 C 1.7367(3) 0.3838(2) 0.1442(3) 0.0652(16) Uani 1 1 d .
N8 N 1.6732(2) 0.37860(17) 0.11419(18) 0.0559(11) Uani 1 1 d .
C56 C 1.6802(3) 0.3384(2) 0.0743(2) 0.0585(14) Uani 1 1 d .
C53 C 1.6079(3) 0.4105(2) 0.1234(3) 0.0731(17) Uani 1 1 d .
H53A H 1.6205 0.4474 0.1337 0.088 Uiso 1 1 calc R
H53B H 1.5806 0.3957 0.1578 0.088 Uiso 1 1 calc R
C23 C 0.8654(2) 0.45870(19) 0.2989(2) 0.0416(11) Uani 1 1 d .
C22 C 0.9204(2) 0.43034(17) 0.25985(18) 0.0354(10) Uani 1 1 d .
C21 C 0.9047(3) 0.3816(2) 0.2319(2) 0.0546(14) Uani 1 1 d .
C20 C 0.9556(3) 0.3542(2) 0.1970(2) 0.0663(16) Uani 1 1 d .
H20 H 0.9452 0.3208 0.1797 0.080 Uiso 1 1 calc R
C17 C 1.1113(2) 0.4505(2) 0.2063(2) 0.0491(12) Uani 1 1 d .
C18 C 1.0386(2) 0.42591(18) 0.21598(19) 0.0401(11) Uani 1 1 d .
C24 C 0.9888(2) 0.45150(19) 0.2525(2) 0.0389(11) Uani 1 1 d .
C19 C 1.0222(3) 0.3776(2) 0.1884(2) 0.0570(14) Uani 1 1 d .
C38 C 0.9991(3) 0.6176(2) 0.2092(3) 0.0861(19) Uani 1 1 d .
H38A H 1.0430 0.6374 0.2056 0.129 Uiso 1 1 calc R
H38B H 1.0062 0.5871 0.2360 0.129 Uiso 1 1 calc R
H38C H 0.9628 0.6405 0.2263 0.129 Uiso 1 1 calc R
C34 C 1.0445(3) 0.5993(2) -0.0229(3) 0.096(2) Uani 1 1 d .
H34A H 1.0850 0.6213 -0.0126 0.144 Uiso 1 1 calc R
H34B H 1.0160 0.6173 -0.0536 0.144 Uiso 1 1 calc R
H34C H 1.0608 0.5654 -0.0392 0.144 Uiso 1 1 calc R
C31 C 0.8261(3) 0.5170(3) 0.0703(3) 0.097(2) Uani 1 1 d .
H31A H 0.8011 0.5134 0.1090 0.145 Uiso 1 1 calc R
H31B H 0.8375 0.4818 0.0545 0.145 Uiso 1 1 calc R
H31C H 0.7965 0.5356 0.0410 0.145 Uiso 1 1 calc R
C48 C 1.4477(4) 0.4031(3) -0.1074(3) 0.112(2) Uani 1 1 d .
H48A H 1.4099 0.3770 -0.1048 0.168 Uiso 1 1 calc R
H48B H 1.4803 0.3928 -0.1398 0.168 Uiso 1 1 calc R
H48C H 1.4279 0.4379 -0.1166 0.168 Uiso 1 1 calc R
C55 C 1.4898(3) 0.3342(2) 0.1114(2) 0.0715(16) Uani 1 1 d .
H55A H 1.4499 0.3120 0.0997 0.107 Uiso 1 1 calc R
H55B H 1.4779 0.3542 0.1481 0.107 Uiso 1 1 calc R
H55C H 1.5305 0.3118 0.1196 0.107 Uiso 1 1 calc R
C51 C 1.6444(3) 0.4803(2) 0.0200(4) 0.112(3) Uani 1 1 d .
H51A H 1.6492 0.4999 -0.0182 0.168 Uiso 1 1 calc R
H51B H 1.6871 0.4599 0.0275 0.168 Uiso 1 1 calc R
H51C H 1.6371 0.5052 0.0535 0.168 Uiso 1 1 calc R
O01 O 0.6817(5) 0.7500 -0.1234(5) 0.217(5) Uani 1 2 d S
H5 H 1.312(3) 0.7500 0.158(2) 0.028(14) Uiso 1 2 d S
H56 H 1.638(2) 0.3291(15) 0.0470(17) 0.041(11) Uiso 1 1 d .
H12 H 0.880(3) 0.7500 -0.122(3) 0.05(2) Uiso 1 2 d S
H11 H 0.993(3) 0.7500 -0.132(2) 0.027(14) Uiso 1 2 d S
H13 H 0.813(3) 0.7500 -0.033(3) 0.06(2) Uiso 1 2 d S
H24 H 0.9978(18) 0.4814(15) 0.2721(17) 0.026(11) Uiso 1 1 d .
H16 H 1.005(3) 0.7500 0.057(2) 0.037(16) Uiso 1 2 d S
H21 H 0.860(2) 0.3666(15) 0.2393(18) 0.044(12) Uiso 1 1 d .
H19 H 1.057(2) 0.3549(18) 0.170(2) 0.056(14) Uiso 1 1 d .
H4 H 1.366(3) 0.7500 0.258(3) 0.057(18) Uiso 1 2 d S
H58 H 1.731(3) 0.408(2) 0.173(3) 0.082(19) Uiso 1 1 d .
H8 H 1.494(3) 0.7500 0.073(3) 0.05(2) Uiso 1 2 d S
H3 H 1.492(4) 0.7500 0.264(3) 0.09(3) Uiso 1 2 d S
H25 H 0.847(2) 0.6627(18) 0.161(2) 0.056(15) Uiso 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 0.0000 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'
S S 0.1246 0.1234 '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
N1 Zn2 N1 130.9(2) 7_575 .
N1 Zn2 O7 99.19(11) 7_575 .
N1 Zn2 O7 99.19(11) . .
N1 Zn2 O3 109.19(10) 7_575 1_455
N1 Zn2 O3 109.19(10) . 1_455
O7 Zn2 O3 105.10(16) . 1_455
N1 Zn2 C1 99.56(11) 7_575 1_455
N1 Zn2 C1 99.56(11) . 1_455
O7 Zn2 C1 133.83(19) . 1_455
O3 Zn2 C1 28.73(17) 1_455 1_455
O1 Zn1 N7 105.36(12) . 5_865
O1 Zn1 N7 105.36(12) . 3_855
N7 Zn1 N7 111.7(2) 5_865 3_855
O1 Zn1 O5 104.46(17) . .
N7 Zn1 O5 114.42(11) 5_865 .
N7 Zn1 O5 114.42(11) 3_855 .
O12 Zn3 O9 108.88(14) 6_656 .
O12 Zn3 N3 123.42(15) 6_656 .
O9 Zn3 N3 104.59(14) . .
O12 Zn3 N5 102.90(14) 6_656 .
O9 Zn3 N5 97.28(14) . .
N3 Zn3 N5 116.59(15) . .
C9 O5 Zn1 103.0(3) . .
C15 O7 Zn2 125.0(4) . .
C7 O1 Zn1 124.3(4) . .
C1 O3 Zn2 100.8(3) . 1_655
C23 O12 Zn3 110.6(3) . 6_556
C17 O9 Zn3 115.2(3) . .
C25 N1 C26 104.9(4) . .
C25 N1 Zn2 124.2(3) . .
C26 N1 Zn2 129.5(3) . .
C39 N3 C40 105.6(4) . .
C39 N3 Zn3 120.2(3) . .
C40 N3 Zn3 133.9(3) . .
C56 N7 C57 105.2(4) . .
C56 N7 Zn1 122.8(3) . 5_865
C57 N7 Zn1 131.6(3) . 5_865
C42 N5 C43 104.6(4) . .
C42 N5 Zn3 125.7(3) . .
C43 N5 Zn3 128.8(3) . .
O6 C9 O5 122.6(5) . .
O6 C9 C10 118.9(6) . .
O5 C9 C10 118.5(5) . .
C16 C10 C11 118.4(5) . .
C16 C10 C9 124.0(6) . .
C11 C10 C9 117.6(5) . .
C12 C11 C10 120.8(6) . .
C13 C12 C11 121.0(7) . .
C12 C13 C14 120.5(6) . .
C13 C14 C16 118.8(6) . .
C13 C14 C15 120.7(5) . .
C16 C14 C15 120.4(5) . .
C10 C16 C14 120.5(6) . .
O8 C15 O7 124.7(5) . .
O8 C15 C14 119.3(5) . .
O7 C15 C14 115.9(5) . .
O2 C7 O1 123.7(5) . .
O2 C7 C6 120.8(5) . .
O1 C7 C6 115.6(6) . .
C5 C6 C8 119.4(6) . .
C5 C6 C7 121.9(5) . .
C8 C6 C7 118.7(5) . .
C6 C5 C4 120.8(6) . .
C3 C4 C5 119.6(6) . .
C4 C3 C2 121.7(6) . .
C3 C2 C8 117.5(6) . .
C3 C2 C1 118.7(5) . .
C8 C2 C1 123.8(5) . .
C2 C8 C6 121.0(6) . .
O4 C1 O3 123.6(5) . .
O4 C1 C2 117.9(6) . .
O3 C1 C2 118.5(5) . .
O4 C1 Zn2 73.2(3) . 1_655
O3 C1 Zn2 50.4(3) . 1_655
C2 C1 Zn2 169.0(5) . 1_655
N2 C28 C29 111.6(4) . .
C30 C29 C37 120.0(5) . .
C30 C29 C28 119.8(5) . .
C37 C29 C28 120.1(5) . .
C32 C30 C29 119.3(5) . .
C32 C30 C31 118.9(6) . .
C29 C30 C31 121.8(6) . .
C33 C32 C30 121.5(6) . .
C32 C33 C35 119.6(6) . .
C32 C33 C34 117.9(6) . .
C35 C33 C34 122.4(6) . .
C37 C35 C33 119.4(5) . .
C37 C35 C36 121.1(6) . .
C33 C35 C36 119.5(6) . .
C35 C37 C29 120.1(5) . .
C35 C37 C38 119.4(5) . .
C29 C37 C38 120.5(5) . .
N4 C36 C35 111.4(4) . .
C25 N2 C27 106.7(4) . .
C25 N2 C28 126.4(4) . .
C27 N2 C28 126.9(4) . .
N1 C25 N2 112.1(4) . .
C26 C27 N2 106.1(4) . .
C27 C26 N1 110.2(4) . .
C39 N4 C41 106.3(4) . .
C39 N4 C36 126.5(4) . .
C41 N4 C36 127.2(4) . .
N3 C39 N4 111.7(4) . .
C40 C41 N4 107.1(4) . .
C41 C40 N3 109.2(4) . .
C42 N6 C44 107.1(4) . .
C42 N6 C45 125.7(4) . .
C44 N6 C45 127.0(4) . .
N5 C42 N6 111.9(4) . .
C43 C44 N6 106.3(4) . .
C44 C43 N5 110.1(4) . .
N6 C45 C46 110.7(4) . .
C54 C46 C47 120.3(5) . .
C54 C46 C45 119.6(5) . .
C47 C46 C45 120.0(5) . .
C49 C47 C46 119.9(5) . .
C49 C47 C48 119.1(6) . .
C46 C47 C48 121.0(6) . .
C49 C50 C52 120.1(5) . .
C49 C50 C51 118.9(6) . .
C52 C50 C51 120.9(6) . .
C47 C49 C50 120.7(5) . .
C50 C52 C54 120.4(5) . .
C50 C52 C53 119.5(5) . .
C54 C52 C53 120.0(5) . .
C46 C54 C52 118.5(5) . .
C46 C54 C55 120.8(5) . .
C52 C54 C55 120.6(5) . .
C58 C57 N7 110.0(4) . .
C57 C58 N8 106.0(5) . .
C56 N8 C58 107.0(4) . .
C56 N8 C53 125.2(4) . .
C58 N8 C53 127.8(4) . .
N7 C56 N8 111.8(4) . .
N8 C53 C52 109.9(4) . .
O11 C23 O12 125.3(4) . .
O11 C23 C22 120.8(4) . .
O12 C23 C22 113.9(4) . .
C21 C22 C24 118.4(4) . .
C21 C22 C23 120.5(4) . .
C24 C22 C23 121.1(4) . .
C22 C21 C20 121.1(4) . .
C19 C20 C21 118.9(5) . .
O10 C17 O9 125.3(4) . .
O10 C17 C18 120.3(4) . .
O9 C17 C18 114.3(4) . .
C19 C18 C24 120.0(4) . .
C19 C18 C17 119.7(4) . .
C24 C18 C17 120.3(4) . .
C18 C24 C22 120.9(4) . .
C18 C19 C20 120.5(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn2 N1 2.018(4) 7_575
Zn2 N1 2.018(4) .
Zn2 O7 2.025(4) .
Zn2 O3 2.038(4) 1_455
Zn2 C1 2.596(6) 1_455
Zn1 O1 1.993(4) .
Zn1 N7 2.011(4) 5_865
Zn1 N7 2.011(4) 3_855
Zn1 O5 2.017(4) .
Zn3 O12 1.940(3) 6_656
Zn3 O9 1.950(3) .
Zn3 N3 1.991(4) .
Zn3 N5 2.018(4) .
O6 C9 1.240(7) .
O5 C9 1.289(7) .
O8 C15 1.228(7) .
O7 C15 1.286(6) .
O1 C7 1.305(7) .
O2 C7 1.234(7) .
O3 C1 1.271(7) .
O3 Zn2 2.038(4) 1_655
O4 C1 1.225(7) .
O12 C23 1.278(5) .
O12 Zn3 1.940(3) 6_556
O11 C23 1.220(5) .
O9 C17 1.287(5) .
O10 C17 1.225(5) .
N1 C25 1.312(6) .
N1 C26 1.355(5) .
N3 C39 1.324(5) .
N3 C40 1.368(6) .
N7 C56 1.308(5) .
N7 C57 1.354(5) .
N7 Zn1 2.011(4) 5_865
N5 C42 1.318(5) .
N5 C43 1.367(6) .
C9 C10 1.495(7) .
C10 C16 1.392(8) .
C10 C11 1.395(8) .
C11 C12 1.371(9) .
C12 C13 1.357(9) .
C13 C14 1.390(8) .
C14 C16 1.407(7) .
C14 C15 1.504(8) .
C7 C6 1.497(8) .
C6 C5 1.360(8) .
C6 C8 1.400(8) .
C5 C4 1.386(8) .
C4 C3 1.371(8) .
C3 C2 1.389(8) .
C2 C8 1.396(8) .
C2 C1 1.520(8) .
C1 Zn2 2.596(6) 1_655
C28 N2 1.483(6) .
C28 C29 1.498(7) .
C29 C30 1.391(7) .
C29 C37 1.409(7) .
C30 C32 1.387(7) .
C30 C31 1.503(7) .
C32 C33 1.387(7) .
C33 C35 1.403(8) .
C33 C34 1.540(7) .
C35 C37 1.396(7) .
C35 C36 1.507(7) .
C37 C38 1.510(7) .
C36 N4 1.484(5) .
N2 C25 1.328(6) .
N2 C27 1.361(6) .
C27 C26 1.345(7) .
N4 C39 1.330(5) .
N4 C41 1.378(5) .
C41 C40 1.341(7) .
N6 C42 1.329(5) .
N6 C44 1.358(5) .
N6 C45 1.481(5) .
C44 C43 1.344(6) .
C45 C46 1.509(6) .
C46 C54 1.393(6) .
C46 C47 1.405(7) .
C47 C49 1.367(7) .
C47 C48 1.528(8) .
C50 C49 1.378(7) .
C50 C52 1.390(7) .
C50 C51 1.502(7) .
C52 C54 1.401(6) .
C52 C53 1.508(6) .
C54 C55 1.506(7) .
C57 C58 1.341(7) .
C58 N8 1.358(6) .
N8 C56 1.322(6) .
N8 C53 1.470(6) .
C23 C22 1.504(6) .
C22 C21 1.383(6) .
C22 C24 1.391(5) .
C21 C20 1.390(6) .
C20 C19 1.387(6) .
C17 C18 1.505(6) .
C18 C19 1.372(6) .
C18 C24 1.374(6) .
