#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:23:57 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179108 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/70/4307072.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_4307072
loop_
_publ_author_name
'Ying-Ying Liu'
'Jian-Fang Ma'
'Jin Yang'
'Zhong-Min Su'
_publ_contact_author_address
;
Department of Chemistry
Northeast Normal University
Changchun 130024
P.R.China
;
_publ_contact_author_email       jianfangma@yahoo.com.cn
_publ_contact_author_fax         +86-431-85098620
_publ_contact_author_name        'Jian-Fang Ma'
_publ_contact_author_phone       +86-431-85098620
_publ_section_title
;
Syntheses and Characterization of Six Coordination Polymers of Zinc(II) and
Cobalt(II) with 1,3,5-Benzenetricarboxylate Anion and Bis(imidazole) Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3027
_journal_page_last               3037
_journal_paper_doi               10.1021/ic061575l
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C60 H48 N12 O12 Zn3'
_chemical_formula_weight         1325.21
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.0000
_cell_angle_beta                 112.6850(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   40.3640(8)
_cell_length_b                   8.3410(8)
_cell_length_c                   18.7430(10)
_cell_measurement_reflns_used    6677
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     5822.1(7)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0578
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            26775
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.22
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.300
_exptl_absorpt_correction_T_max  0.795
_exptl_absorpt_correction_T_min  0.703
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2712
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.606
_refine_diff_density_min         -0.282
_refine_diff_density_rms         0.066
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.373(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     785
_refine_ls_number_reflns         12640
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0411
_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)+(0.0365P)²+1.4956P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0859
_reflns_number_gt                10267
_reflns_number_total             12640
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061575lsi20061217_095045_2.cif
_cod_data_source_block           compound-2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        5822.1(6)
_cod_database_code               4307072
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.752356(10) 0.64831(6) 0.886982(19) 0.02892(11) Uani 1 1 d . . .
Zn2 Zn 0.365678(10) 0.66141(6) 0.21329(2) 0.02785(11) Uani 1 1 d . . .
Zn3 Zn 0.555964(12) 0.10933(5) 0.53330(2) 0.03250(11) Uani 1 1 d . . .
C1 C 0.65623(10) 0.3143(5) 0.5952(2) 0.0305(9) Uani 1 1 d . . .
C2 C 0.66383(11) 0.3214(5) 0.5293(2) 0.0313(9) Uani 1 1 d . . .
H2 H 0.6476 0.2797 0.4830 0.038 Uiso 1 1 calc R . .
C3 C 0.69551(9) 0.3902(5) 0.53179(18) 0.0270(8) Uani 1 1 d . . .
C4 C 0.71965(10) 0.4559(5) 0.6006(2) 0.0283(9) Uani 1 1 d . . .
H4 H 0.7411 0.5010 0.6025 0.034 Uiso 1 1 calc R . .
C5 C 0.71163(10) 0.4539(5) 0.66589(19) 0.0269(8) Uani 1 1 d . . .
C6 C 0.68046(9) 0.3792(5) 0.6636(2) 0.0306(8) Uani 1 1 d . . .
H6 H 0.6758 0.3727 0.7084 0.037 Uiso 1 1 calc R . .
C7 C 0.62224(10) 0.2354(5) 0.5940(2) 0.0362(9) Uani 1 1 d . . .
C8 C 0.70439(10) 0.3846(6) 0.4602(2) 0.0317(9) Uani 1 1 d . . .
C9 C 0.73622(11) 0.5310(5) 0.7397(2) 0.0291(9) Uani 1 1 d . . .
C10 C 0.46735(10) 0.3675(5) 0.5119(2) 0.0326(9) Uani 1 1 d . . .
C11 C 0.44285(10) 0.4351(5) 0.4440(2) 0.0346(9) Uani 1 1 d . . .
H11 H 0.4496 0.4524 0.4024 0.041 Uiso 1 1 calc R . .
C12 C 0.40860(11) 0.4767(5) 0.4379(2) 0.0314(9) Uani 1 1 d . . .
C13 C 0.39959(10) 0.4564(5) 0.5017(2) 0.0301(9) Uani 1 1 d . . .
H13 H 0.3769 0.4866 0.4983 0.036 Uiso 1 1 calc R . .
C14 C 0.42352(10) 0.3927(5) 0.5698(2) 0.0296(8) Uani 1 1 d . . .
C15 C 0.45769(11) 0.3461(5) 0.5744(2) 0.0339(10) Uani 1 1 d . . .
H15 H 0.4739 0.3006 0.6197 0.041 Uiso 1 1 calc R . .
C16 C 0.50340(10) 0.3162(6) 0.5138(2) 0.0410(10) Uani 1 1 d . . .
C17 C 0.38236(11) 0.5436(5) 0.3626(2) 0.0321(9) Uani 1 1 d . . .
C18 C 0.41462(10) 0.6336(5) 0.1392(2) 0.0297(9) Uani 1 1 d . . .
C19 C 0.68177(12) 1.2024(6) 0.9365(3) 0.0408(10) Uani 1 1 d . . .
C20 C 0.70610(11) 1.1310(6) 1.0021(2) 0.0404(10) Uani 1 1 d . . .
H20 H 0.7282 1.0990 1.0024 0.048 Uiso 1 1 calc R . .
C21 C 0.69898(10) 1.1053(6) 1.0669(2) 0.0362(9) Uani 1 1 d . . .
C22 C 0.66634(12) 1.1589(6) 1.0672(3) 0.0564(13) Uani 1 1 d . . .
H22 H 0.6608 1.1445 1.1105 0.068 Uiso 1 1 calc R . .
C23 C 0.64263(13) 1.2334(8) 1.0026(3) 0.0685(16) Uani 1 1 d . . .
H23 H 0.6210 1.2707 1.0031 0.082 Uiso 1 1 calc R . .
C24 C 0.64952(12) 1.2548(7) 0.9378(3) 0.0542(13) Uani 1 1 d . . .
H24 H 0.6327 1.3044 0.8946 0.065 Uiso 1 1 calc R . .
C25 C 0.68926(13) 1.2260(6) 0.8640(3) 0.0466(11) Uani 1 1 d . . .
H25A H 0.6672 1.2106 0.8190 0.056 Uiso 1 1 calc R . .
H25B H 0.6973 1.3351 0.8627 0.056 Uiso 1 1 calc R . .
C26 C 0.72429(10) 1.0185(6) 1.1381(2) 0.0444(12) Uani 1 1 d . . .
H26A H 0.7252 1.0755 1.1839 0.053 Uiso 1 1 calc R . .
H26B H 0.7150 0.9118 1.1397 0.053 Uiso 1 1 calc R . .
C27 C 0.71397(12) 0.9539(6) 0.8606(2) 0.0423(11) Uani 1 1 d . . .
H27 H 0.6935 0.8991 0.8580 0.051 Uiso 1 1 calc R . .
C28 C 0.74976(13) 1.1467(6) 0.8626(3) 0.0502(14) Uani 1 1 d . . .
H28 H 0.7593 1.2480 0.8620 0.060 Uiso 1 1 calc R . .
C29 C 0.76674(14) 1.0064(6) 0.8666(3) 0.0517(13) Uani 1 1 d . . .
H29 H 0.7901 0.9949 0.8695 0.062 Uiso 1 1 calc R . .
C30 C 0.78764(11) 1.1082(6) 1.1761(2) 0.0378(10) Uani 1 1 d . . .
H30 H 0.7861 1.1926 1.2071 0.045 Uiso 1 1 calc R . .
C31 C 0.77323(11) 0.9005(6) 1.1001(2) 0.0448(11) Uani 1 1 d . . .
H31 H 0.7606 0.8156 1.0695 0.054 Uiso 1 1 calc R . .
C32 C 0.80746(11) 0.9428(6) 1.1142(2) 0.0444(12) Uani 1 1 d . . .
H32 H 0.8225 0.8918 1.0943 0.053 Uiso 1 1 calc R . .
C33 C 0.55466(15) -0.6692(6) 0.7835(2) 0.0590(13) Uani 1 1 d . . .
C34 C 0.57713(14) -0.6071(6) 0.7515(2) 0.0551(12) Uani 1 1 d . . .
H34 H 0.5823 -0.6670 0.7152 0.066 Uiso 1 1 calc R . .
C35 C 0.59225(12) -0.4575(6) 0.7720(2) 0.0451(10) Uani 1 1 d . . .
C36 C 0.58455(14) -0.3691(6) 0.8259(3) 0.0574(13) Uani 1 1 d . . .
H36 H 0.5946 -0.2678 0.8396 0.069 Uiso 1 1 calc R . .
C37 C 0.56254(15) -0.4271(7) 0.8591(3) 0.0678(14) Uani 1 1 d . . .
H37 H 0.5581 -0.3668 0.8962 0.081 Uiso 1 1 calc R . .
C38 C 0.54662(15) -0.5775(8) 0.8376(3) 0.0690(15) Uani 1 1 d . . .
H38 H 0.5308 -0.6165 0.8588 0.083 Uiso 1 1 calc R . .
C39 C 0.5401(2) -0.8381(8) 0.7593(3) 0.101(3) Uani 1 1 d . . .
H39A H 0.5199 -0.8332 0.7098 0.122 Uiso 1 1 calc R . .
H39B H 0.5586 -0.9037 0.7528 0.122 Uiso 1 1 calc R . .
C40 C 0.61610(12) -0.3922(6) 0.7339(2) 0.0545(12) Uani 1 1 d . . .
H40A H 0.6337 -0.3201 0.7691 0.065 Uiso 1 1 calc R . .
H40B H 0.6289 -0.4797 0.7217 0.065 Uiso 1 1 calc R . .
C41 C 0.59192(9) -0.1478(5) 0.6519(2) 0.0400(9) Uani 1 1 d . . .
H41 H 0.6054 -0.0729 0.6883 0.048 Uiso 1 1 calc R . .
C42 C 0.55460(14) -0.2564(5) 0.5486(3) 0.0462(11) Uani 1 1 d . . .
H42 H 0.5370 -0.2688 0.4992 0.055 Uiso 1 1 calc R . .
C43 C 0.57099(11) -0.3747(6) 0.5965(2) 0.0469(11) Uani 1 1 d . . .
H43 H 0.5670 -0.4839 0.5869 0.056 Uiso 1 1 calc R . .
C44 C 0.54931(12) -0.9870(5) 0.8806(2) 0.0468(10) Uani 1 1 d . . .
H44 H 0.5737 -1.0064 0.8939 0.056 Uiso 1 1 calc R . .
C45 C 0.49717(12) -0.9774(7) 0.8842(3) 0.0712(16) Uani 1 1 d . . .
H45 H 0.4783 -0.9900 0.9004 0.085 Uiso 1 1 calc R . .
C46 C 0.49533(16) -0.9040(8) 0.8182(4) 0.095(2) Uani 1 1 d . . .
H46 H 0.4751 -0.8568 0.7812 0.115 Uiso 1 1 calc R . .
C47 C 0.34810(13) 1.0124(6) 0.2452(3) 0.0490(12) Uani 1 1 d . . .
H47 H 0.3259 0.9941 0.2480 0.059 Uiso 1 1 calc R . .
C48 C 0.36408(13) 1.1582(6) 0.2512(3) 0.0516(13) Uani 1 1 d . . .
H48 H 0.3549 1.2570 0.2576 0.062 Uiso 1 1 calc R . .
C49 C 0.39845(11) 0.9750(6) 0.2357(3) 0.0433(11) Uani 1 1 d . . .
H49 H 0.4180 0.9261 0.2300 0.052 Uiso 1 1 calc R . .
C50 C 0.43434(13) 1.2173(6) 0.1777(3) 0.0467(12) Uani 1 1 d . . .
C51 C 0.41082(12) 1.1603(6) 0.1066(3) 0.0483(13) Uani 1 1 d . . .
H51 H 0.3867 1.1488 0.0984 0.058 Uiso 1 1 calc R . .
C52 C 0.42156(12) 1.1206(7) 0.0483(3) 0.0490(12) Uani 1 1 d . . .
C53 C 0.45731(14) 1.1447(9) 0.0607(4) 0.080(2) Uani 1 1 d . . .
H53 H 0.4655 1.1176 0.0223 0.095 Uiso 1 1 calc R . .
C54 C 0.48073(16) 1.2081(10) 0.1291(4) 0.101(3) Uani 1 1 d . . .
H54 H 0.5044 1.2279 0.1354 0.122 Uiso 1 1 calc R . .
C55 C 0.47003(15) 1.2429(8) 0.1884(3) 0.0708(17) Uani 1 1 d . . .
H55 H 0.4863 1.2830 0.2350 0.085 Uiso 1 1 calc R . .
C56 C 0.42266(15) 1.2513(6) 0.2433(3) 0.0597(14) Uani 1 1 d . . .
H56A H 0.4434 1.2499 0.2918 0.072 Uiso 1 1 calc R . .
H56B H 0.4120 1.3572 0.2368 0.072 Uiso 1 1 calc R . .
C57 C 0.39713(13) 1.0469(8) -0.0263(3) 0.0658(16) Uani 1 1 d . . .
H57A H 0.3969 1.1142 -0.0687 0.079 Uiso 1 1 calc R . .
H57B H 0.4067 0.9433 -0.0320 0.079 Uiso 1 1 calc R . .
C58 C 0.83207(11) 0.6195(6) 0.9282(2) 0.0427(11) Uani 1 1 d . . .
H58 H 0.8329 0.7043 0.8967 0.051 Uiso 1 1 calc R . .
C59 C 0.81391(13) 0.4469(6) 0.9897(2) 0.0477(12) Uani 1 1 d . . .
H59 H 0.7991 0.3914 1.0087 0.057 Uiso 1 1 calc R . .
C60 C 0.84816(13) 0.4142(7) 1.0062(3) 0.0560(14) Uani 1 1 d . . .
H60 H 0.8615 0.3321 1.0378 0.067 Uiso 1 1 calc R . .
N1 N 0.74421(9) 0.8832(5) 0.86565(17) 0.0366(8) Uani 1 1 d . . .
N2 N 0.71653(9) 1.1148(5) 0.85979(19) 0.0396(8) Uani 1 1 d . . .
N3 N 0.76075(9) 1.0056(5) 1.13936(19) 0.0365(8) Uani 1 1 d . . .
N4 N 0.81641(8) 1.0728(5) 1.16225(18) 0.0355(8) Uani 1 1 d . . .
N5 N 0.59483(8) -0.3061(4) 0.66275(18) 0.0408(8) Uani 1 1 d . . .
N6 N 0.56803(8) -0.1108(4) 0.58418(18) 0.0407(8) Uani 1 1 d . . .
N7 N 0.52852(13) -0.9125(6) 0.8164(2) 0.0715(14) Uani 1 1 d . . .
N8 N 0.53164(8) -1.0297(4) 0.92278(19) 0.0420(8) Uani 1 1 d . . .
N9 N 0.36977(9) 0.8972(5) 0.23434(18) 0.0377(8) Uani 1 1 d . . .
N10 N 0.39609(10) 1.1296(5) 0.2459(2) 0.0410(9) Uani 1 1 d . . .
N11 N 0.80355(9) 0.5766(5) 0.93981(19) 0.0392(9) Uani 1 1 d . . .
N12 N 0.86004(10) 0.5253(5) 0.9675(2) 0.0492(10) Uani 1 1 d . . .
O1 O 0.61867(8) 0.2090(4) 0.65510(18) 0.0586(9) Uani 1 1 d . . .
O2 O 0.59914(7) 0.2028(4) 0.52781(17) 0.0440(8) Uani 1 1 d . . .
O3 O 0.68069(8) 0.3444(4) 0.39805(16) 0.0454(9) Uani 1 1 d . . .
O4 O 0.73682(7) 0.4137(4) 0.47073(14) 0.0389(7) Uani 1 1 d . . .
O5 O 0.72607(8) 0.5195(4) 0.79606(15) 0.0400(7) Uani 1 1 d . . .
O6 O 0.76384(8) 0.5995(5) 0.74407(16) 0.0498(9) Uani 1 1 d . . .
O7 O 0.51985(8) 0.2084(4) 0.56400(17) 0.0461(8) Uani 1 1 d . . .
O8 O 0.51519(8) 0.3748(4) 0.46824(19) 0.0589(9) Uani 1 1 d . . .
O9 O 0.39368(8) 0.5523(4) 0.30823(15) 0.0411(7) Uani 1 1 d . . .
O10 O 0.35192(8) 0.5848(5) 0.35639(17) 0.0573(10) Uani 1 1 d . . .
O11 O 0.43681(8) 0.6849(5) 0.19984(17) 0.0471(9) Uani 1 1 d . . .
O12 O 0.38169(7) 0.6015(4) 0.13021(14) 0.0368(7) 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 0.0000 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'
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
_geom_angle_publ_flag
O5 Zn1 O4 108.60(13) . 2_565 ?
O5 Zn1 N1 111.93(13) . . ?
O4 Zn1 N1 109.74(14) 2_565 . ?
O5 Zn1 N11 112.14(15) . . ?
O4 Zn1 N11 96.44(13) 2_565 . ?
N1 Zn1 N11 116.68(15) . . ?
O9 Zn2 O12 110.85(12) . . ?
O9 Zn2 N4 112.97(15) . 3_444 ?
O12 Zn2 N4 95.60(12) . 3_444 ?
O9 Zn2 N9 107.90(14) . . ?
O12 Zn2 N9 112.26(14) . . ?
N4 Zn2 N9 116.87(14) 3_444 . ?
O7 Zn3 O2 129.28(12) . . ?
O7 Zn3 N8 108.53(13) . 2_544 ?
O2 Zn3 N8 99.64(14) . 2_544 ?
O7 Zn3 N6 108.37(14) . . ?
O2 Zn3 N6 109.14(13) . . ?
N8 Zn3 N6 96.71(14) 2_544 . ?
C2 C1 C6 119.2(4) . . ?
C2 C1 C7 121.1(3) . . ?
C6 C1 C7 119.7(3) . . ?
C1 C2 C3 120.5(3) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C2 C3 C4 120.1(3) . . ?
C2 C3 C8 119.1(3) . . ?
C4 C3 C8 120.7(4) . . ?
C5 C4 C3 119.7(4) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 119.8(3) . . ?
C4 C5 C9 120.9(3) . . ?
C6 C5 C9 119.3(3) . . ?
C1 C6 C5 120.7(3) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
O1 C7 O2 124.8(4) . . ?
O1 C7 C1 119.7(3) . . ?
O2 C7 C1 115.5(4) . . ?
O3 C8 O4 125.1(4) . . ?
O3 C8 C3 118.8(4) . . ?
O4 C8 C3 116.0(3) . . ?
O6 C9 O5 123.6(3) . . ?
O6 C9 C5 121.4(4) . . ?
O5 C9 C5 114.9(4) . . ?
C15 C10 C11 119.5(4) . . ?
C15 C10 C16 122.1(4) . . ?
C11 C10 C16 118.3(3) . . ?
C12 C11 C10 120.7(4) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 118.8(3) . . ?
C11 C12 C17 119.3(4) . . ?
C13 C12 C17 121.9(4) . . ?
C14 C13 C12 121.5(4) . . ?
C14 C13 H13 119.2 . . ?
C12 C13 H13 119.2 . . ?
C13 C14 C15 119.0(4) . . ?
C13 C14 C18 123.1(4) . 2_565 ?
C15 C14 C18 117.9(3) . 2_565 ?
C10 C15 C14 120.4(4) . . ?
C10 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
O8 C16 O7 123.9(4) . . ?
O8 C16 C10 120.1(4) . . ?
O7 C16 C10 115.9(4) . . ?
O10 C17 O9 124.1(4) . . ?
O10 C17 C12 120.3(4) . . ?
O9 C17 C12 115.6(4) . . ?
O11 C18 O12 122.6(4) . . ?
O11 C18 C14 121.7(4) . 2_564 ?
O12 C18 C14 115.7(3) . 2_564 ?
C20 C19 C24 118.3(4) . . ?
C20 C19 C25 122.4(4) . . ?
C24 C19 C25 119.3(4) . . ?
C21 C20 C19 122.6(4) . . ?
C21 C20 H20 118.7 . . ?
C19 C20 H20 118.7 . . ?
C20 C21 C22 118.4(4) . . ?
C20 C21 C26 123.7(4) . . ?
C22 C21 C26 117.9(4) . . ?
C23 C22 C21 118.8(5) . . ?
C23 C22 H22 120.6 . . ?
C21 C22 H22 120.6 . . ?
C24 C23 C22 122.5(5) . . ?
C24 C23 H23 118.8 . . ?
C22 C23 H23 118.8 . . ?
C23 C24 C19 119.5(4) . . ?
C23 C24 H24 120.3 . . ?
C19 C24 H24 120.3 . . ?
N2 C25 C19 112.3(4) . . ?
N2 C25 H25A 109.1 . . ?
C19 C25 H25A 109.1 . . ?
N2 C25 H25B 109.1 . . ?
C19 C25 H25B 109.1 . . ?
H25A C25 H25B 107.9 . . ?
N3 C26 C21 112.4(4) . . ?
N3 C26 H26A 109.1 . . ?
C21 C26 H26A 109.1 . . ?
N3 C26 H26B 109.1 . . ?
C21 C26 H26B 109.1 . . ?
H26A C26 H26B 107.9 . . ?
N1 C27 N2 111.8(4) . . ?
N1 C27 H27 124.1 . . ?
N2 C27 H27 124.1 . . ?
C29 C28 N2 108.0(4) . . ?
C29 C28 H28 126.0 . . ?
N2 C28 H28 126.0 . . ?
C28 C29 N1 109.4(5) . . ?
C28 C29 H29 125.3 . . ?
N1 C29 H29 125.3 . . ?
N4 C30 N3 110.8(4) . . ?
N4 C30 H30 124.6 . . ?
N3 C30 H30 124.6 . . ?
C32 C31 N3 106.9(4) . . ?
C32 C31 H31 126.6 . . ?
N3 C31 H31 126.6 . . ?
C31 C32 N4 109.1(4) . . ?
C31 C32 H32 125.5 . . ?
N4 C32 H32 125.5 . . ?
C34 C33 C38 119.2(5) . . ?
C34 C33 C39 117.6(5) . . ?
C38 C33 C39 123.2(5) . . ?
C33 C34 C35 121.2(5) . . ?
C33 C34 H34 119.4 . . ?
C35 C34 H34 119.4 . . ?
C34 C35 C36 119.3(5) . . ?
C34 C35 C40 119.4(4) . . ?
C36 C35 C40 121.3(5) . . ?
C37 C36 C35 121.2(5) . . ?
C37 C36 H36 119.4 . . ?
C35 C36 H36 119.4 . . ?
C36 C37 C38 119.8(5) . . ?
C36 C37 H37 120.1 . . ?
C38 C37 H37 120.1 . . ?
C37 C38 C33 119.3(5) . . ?
C37 C38 H38 120.3 . . ?
C33 C38 H38 120.3 . . ?
N7 C39 C33 111.7(5) . . ?
N7 C39 H39A 109.3 . . ?
C33 C39 H39A 109.3 . . ?
N7 C39 H39B 109.3 . . ?
C33 C39 H39B 109.3 . . ?
H39A C39 H39B 108.0 . . ?
N5 C40 C35 110.6(3) . . ?
N5 C40 H40A 109.5 . . ?
C35 C40 H40A 109.5 . . ?
N5 C40 H40B 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 108.1 . . ?
N6 C41 N5 111.9(4) . . ?
N6 C41 H41 124.1 . . ?
N5 C41 H41 124.1 . . ?
C43 C42 N6 108.9(4) . . ?
C43 C42 H42 125.5 . . ?
N6 C42 H42 125.5 . . ?
C42 C43 N5 107.2(4) . . ?
C42 C43 H43 126.4 . . ?
N5 C43 H43 126.4 . . ?
N8 C44 N7 112.1(4) . . ?
N8 C44 H44 123.9 . . ?
N7 C44 H44 123.9 . . ?
C46 C45 N8 108.2(5) . . ?
C46 C45 H45 125.9 . . ?
N8 C45 H45 125.9 . . ?
N7 C46 C45 107.0(5) . . ?
N7 C46 H46 126.5 . . ?
C45 C46 H46 126.5 . . ?
C48 C47 N9 109.3(4) . . ?
C48 C47 H47 125.4 . . ?
N9 C47 H47 125.4 . . ?
N10 C48 C47 105.8(4) . . ?
N10 C48 H48 127.1 . . ?
C47 C48 H48 127.1 . . ?
N10 C49 N9 111.9(4) . . ?
N10 C49 H49 124.0 . . ?
N9 C49 H49 124.0 . . ?
C51 C50 C55 118.5(5) . . ?
C51 C50 C56 122.4(4) . . ?
C55 C50 C56 119.1(5) . . ?
C52 C51 C50 122.8(4) . . ?
C52 C51 H51 118.6 . . ?
C50 C51 H51 118.6 . . ?
C51 C52 C53 117.6(5) . . ?
C51 C52 C57 123.4(4) . . ?
C53 C52 C57 119.0(5) . . ?
C54 C53 C52 120.7(6) . . ?
C54 C53 H53 119.6 . . ?
C52 C53 H53 119.6 . . ?
C55 C54 C53 121.4(5) . . ?
C55 C54 H54 119.3 . . ?
C53 C54 H54 119.3 . . ?
C54 C55 C50 118.9(5) . . ?
C54 C55 H55 120.5 . . ?
C50 C55 H55 120.5 . . ?
N10 C56 C50 110.8(4) . . ?
N10 C56 H56A 109.5 . . ?
C50 C56 H56A 109.5 . . ?
N10 C56 H56B 109.5 . . ?
C50 C56 H56B 109.5 . . ?
H56A C56 H56B 108.1 . . ?
N12 C57 C52 114.1(4) 3_454 . ?
N12 C57 H57A 108.7 3_454 . ?
C52 C57 H57A 108.7 . . ?
N12 C57 H57B 108.7 3_454 . ?
C52 C57 H57B 108.7 . . ?
H57A C57 H57B 107.6 . . ?
N11 C58 N12 111.0(4) . . ?
N11 C58 H58 124.5 . . ?
N12 C58 H58 124.5 . . ?
C60 C59 N11 109.6(5) . . ?
C60 C59 H59 125.2 . . ?
N11 C59 H59 125.2 . . ?
C59 C60 N12 106.5(4) . . ?
C59 C60 H60 126.8 . . ?
N12 C60 H60 126.8 . . ?
C27 N1 C29 104.8(4) . . ?
C27 N1 Zn1 121.7(3) . . ?
C29 N1 Zn1 132.5(3) . . ?
C27 N2 C28 106.0(4) . . ?
C27 N2 C25 124.6(4) . . ?
C28 N2 C25 129.0(4) . . ?
C30 N3 C31 107.1(4) . . ?
C30 N3 C26 124.6(4) . . ?
C31 N3 C26 128.1(4) . . ?
C30 N4 C32 106.2(4) . . ?
C30 N4 Zn2 128.0(3) . 3_556 ?
C32 N4 Zn2 125.0(3) . 3_556 ?
C41 N5 C43 106.6(3) . . ?
C41 N5 C40 127.6(4) . . ?
C43 N5 C40 125.5(4) . . ?
C41 N6 C42 105.4(4) . . ?
C41 N6 Zn3 128.6(3) . . ?
C42 N6 Zn3 125.7(3) . . ?
C44 N7 C46 106.7(5) . . ?
C44 N7 C39 126.5(5) . . ?
C46 N7 C39 126.4(5) . . ?
C44 N8 C45 105.9(4) . . ?
C44 N8 Zn3 123.1(3) . 2_545 ?
C45 N8 Zn3 129.5(4) . 2_545 ?
C49 N9 C47 105.0(4) . . ?
C49 N9 Zn2 119.5(3) . . ?
C47 N9 Zn2 135.4(3) . . ?
C49 N10 C48 108.0(4) . . ?
C49 N10 C56 124.8(4) . . ?
C48 N10 C56 127.0(4) . . ?
C58 N11 C59 105.8(4) . . ?
C58 N11 Zn1 130.1(3) . . ?
C59 N11 Zn1 123.4(3) . . ?
C58 N12 C60 107.2(4) . . ?
C58 N12 C57 126.1(5) . 3_546 ?
C60 N12 C57 126.5(4) . 3_546 ?
C7 O2 Zn3 111.8(3) . . ?
C8 O4 Zn1 116.9(2) . 2_564 ?
C9 O5 Zn1 116.3(3) . . ?
C16 O7 Zn3 108.3(3) . . ?
C17 O9 Zn2 120.2(3) . . ?
C18 O12 Zn2 118.4(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O5 1.947(3) . ?
Zn1 O4 1.971(3) 2_565 ?
Zn1 N1 2.001(4) . ?
Zn1 N11 2.008(3) . ?
Zn2 O9 1.929(3) . ?
Zn2 O12 1.967(3) . ?
Zn2 N4 1.987(3) 3_444 ?
Zn2 N9 2.000(4) . ?
Zn3 O7 1.946(3) . ?
Zn3 O2 1.948(3) . ?
Zn3 N8 2.032(3) 2_544 ?
Zn3 N6 2.039(3) . ?
C1 C2 1.384(6) . ?
C1 C6 1.388(5) . ?
C1 C7 1.514(5) . ?
C2 C3 1.386(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.394(5) . ?
C3 C8 1.516(5) . ?
C4 C5 1.382(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.389(5) . ?
C5 C9 1.502(5) . ?
C6 H6 0.9300 . ?
C7 O1 1.228(5) . ?
C7 O2 1.261(5) . ?
C8 O3 1.235(5) . ?
C8 O4 1.270(5) . ?
C9 O6 1.227(5) . ?
C9 O5 1.275(5) . ?
C10 C15 1.380(6) . ?
C10 C11 1.395(5) . ?
C10 C16 1.504(5) . ?
C11 C12 1.386(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.388(6) . ?
C12 C17 1.507(5) . ?
C13 C14 1.377(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.403(6) . ?
C14 C18 1.493(6) 2_565 ?
C15 H15 0.9300 . ?
C16 O8 1.227(5) . ?
C16 O7 1.286(5) . ?
C17 O10 1.237(5) . ?
C17 O9 1.270(5) . ?
C18 O11 1.221(5) . ?
C18 O12 1.302(5) . ?
C18 C14 1.493(6) 2_564 ?
C19 C20 1.378(6) . ?
C19 C24 1.382(7) . ?
C19 C25 1.516(6) . ?
C20 C21 1.369(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.394(6) . ?
C21 C26 1.515(6) . ?
C22 C23 1.369(7) . ?
C22 H22 0.9300 . ?
C23 C24 1.359(8) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 N2 1.464(6) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 N3 1.467(5) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 N1 1.326(6) . ?
C27 N2 1.346(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.343(7) . ?
C28 N2 1.348(6) . ?
C28 H28 0.9300 . ?
C29 N1 1.368(6) . ?
C29 H29 0.9300 . ?
C30 N4 1.318(5) . ?
C30 N3 1.345(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.350(6) . ?
C31 N3 1.360(6) . ?
C31 H31 0.9300 . ?
C32 N4 1.366(5) . ?
C32 H32 0.9300 . ?
C33 C34 1.368(7) . ?
C33 C38 1.403(8) . ?
C33 C39 1.528(8) . ?
C34 C35 1.377(7) . ?
C34 H34 0.9300 . ?
C35 C36 1.379(6) . ?
C35 C40 1.506(6) . ?
C36 C37 1.356(7) . ?
C36 H36 0.9300 . ?
C37 C38 1.397(8) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 N7 1.460(7) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 N5 1.465(5) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 N6 1.300(5) . ?
C41 N5 1.334(5) . ?
C41 H41 0.9300 . ?
C42 C43 1.326(6) . ?
C42 N6 1.391(5) . ?
C42 H42 0.9300 . ?
C43 N5 1.369(5) . ?
C43 H43 0.9300 . ?
C44 N8 1.303(5) . ?
C44 N7 1.326(5) . ?
C44 H44 0.9300 . ?
C45 C46 1.357(8) . ?
C45 N8 1.369(5) . ?
C45 H45 0.9300 . ?
C46 N7 1.355(8) . ?
C46 H46 0.9300 . ?
C47 C48 1.361(7) . ?
C47 N9 1.367(6) . ?
C47 H47 0.9300 . ?
C48 N10 1.354(6) . ?
C48 H48 0.9300 . ?
C49 N10 1.313(6) . ?
C49 N9 1.319(6) . ?
C49 H49 0.9300 . ?
C50 C51 1.388(7) . ?
C50 C55 1.392(7) . ?
C50 C56 1.504(7) . ?
C51 C52 1.363(7) . ?
C51 H51 0.9300 . ?
C52 C53 1.385(7) . ?
C52 C57 1.497(7) . ?
C53 C54 1.372(9) . ?
C53 H53 0.9300 . ?
C54 C55 1.368(9) . ?
C54 H54 0.9300 . ?
C55 H55 0.9300 . ?
C56 N10 1.491(6) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 N12 1.468(6) 3_454 ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C58 N11 1.302(6) . ?
C58 N12 1.339(5) . ?
C58 H58 0.9300 . ?
C59 C60 1.323(7) . ?
C59 N11 1.384(6) . ?
C59 H59 0.9300 . ?
C60 N12 1.372(7) . ?
C60 H60 0.9300 . ?
N4 Zn2 1.987(3) 3_556 ?
N8 Zn3 2.032(3) 2_545 ?
N12 C57 1.468(6) 3_546 ?
O4 Zn1 1.971(3) 2_564 ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 1.0(6) . . . . ?
C7 C1 C2 C3 -178.3(4) . . . . ?
C1 C2 C3 C4 -1.3(7) . . . . ?
C1 C2 C3 C8 175.3(4) . . . . ?
C2 C3 C4 C5 -0.8(6) . . . . ?
C8 C3 C4 C5 -177.4(4) . . . . ?
C3 C4 C5 C6 3.2(6) . . . . ?
C3 C4 C5 C9 -176.9(4) . . . . ?
C2 C1 C6 C5 1.4(6) . . . . ?
C7 C1 C6 C5 -179.3(4) . . . . ?
C4 C5 C6 C1 -3.6(6) . . . . ?
C9 C5 C6 C1 176.6(4) . . . . ?
C2 C1 C7 O1 169.1(4) . . . . ?
C6 C1 C7 O1 -10.2(6) . . . . ?
C2 C1 C7 O2 -11.7(6) . . . . ?
C6 C1 C7 O2 169.0(4) . . . . ?
C2 C3 C8 O3 12.4(7) . . . . ?
C4 C3 C8 O3 -171.0(4) . . . . ?
C2 C3 C8 O4 -163.7(4) . . . . ?
C4 C3 C8 O4 12.9(6) . . . . ?
C4 C5 C9 O6 0.8(6) . . . . ?
C6 C5 C9 O6 -179.3(4) . . . . ?
C4 C5 C9 O5 -179.2(4) . . . . ?
C6 C5 C9 O5 0.6(6) . . . . ?
C15 C10 C11 C12 -1.8(6) . . . . ?
C16 C10 C11 C12 176.6(4) . . . . ?
C10 C11 C12 C13 2.8(6) . . . . ?
C10 C11 C12 C17 -177.7(4) . . . . ?
C11 C12 C13 C14 -1.6(6) . . . . ?
C17 C12 C13 C14 178.9(4) . . . . ?
C12 C13 C14 C15 -0.5(7) . . . . ?
C12 C13 C14 C18 -178.9(4) . . . 2_565 ?
C11 C10 C15 C14 -0.3(6) . . . . ?
C16 C10 C15 C14 -178.7(4) . . . . ?
C13 C14 C15 C10 1.5(6) . . . . ?
C18 C14 C15 C10 179.9(4) 2_565 . . . ?
C15 C10 C16 O8 -159.4(4) . . . . ?
C11 C10 C16 O8 22.1(6) . . . . ?
C15 C10 C16 O7 21.6(6) . . . . ?
C11 C10 C16 O7 -156.8(4) . . . . ?
C11 C12 C17 O10 -178.4(4) . . . . ?
C13 C12 C17 O10 1.1(7) . . . . ?
C11 C12 C17 O9 2.1(6) . . . . ?
C13 C12 C17 O9 -178.4(4) . . . . ?
C24 C19 C20 C21 2.3(7) . . . . ?
C25 C19 C20 C21 -178.0(5) . . . . ?
C19 C20 C21 C22 -2.4(7) . . . . ?
C19 C20 C21 C26 176.3(5) . . . . ?
C20 C21 C22 C23 0.7(8) . . . . ?
C26 C21 C22 C23 -178.1(5) . . . . ?
C21 C22 C23 C24 1.0(9) . . . . ?
C22 C23 C24 C19 -1.1(10) . . . . ?
C20 C19 C24 C23 -0.6(8) . . . . ?
C25 C19 C24 C23 179.7(5) . . . . ?
C20 C19 C25 N2 22.4(7) . . . . ?
C24 C19 C25 N2 -157.9(5) . . . . ?
C20 C21 C26 N3 16.2(7) . . . . ?
C22 C21 C26 N3 -165.1(4) . . . . ?
N2 C28 C29 N1 0.5(6) . . . . ?
N3 C31 C32 N4 0.4(5) . . . . ?
C38 C33 C34 C35 0.8(7) . . . . ?
C39 C33 C34 C35 -178.1(5) . . . . ?
C33 C34 C35 C36 0.0(7) . . . . ?
C33 C34 C35 C40 -178.5(4) . . . . ?
C34 C35 C36 C37 0.3(7) . . . . ?
C40 C35 C36 C37 178.8(4) . . . . ?
C35 C36 C37 C38 -1.5(8) . . . . ?
C36 C37 C38 C33 2.2(8) . . . . ?
C34 C33 C38 C37 -1.9(8) . . . . ?
C39 C33 C38 C37 176.9(5) . . . . ?
C34 C33 C39 N7 158.2(5) . . . . ?
C38 C33 C39 N7 -20.7(9) . . . . ?
C34 C35 C40 N5 88.3(5) . . . . ?
C36 C35 C40 N5 -90.1(5) . . . . ?
N6 C42 C43 N5 0.1(5) . . . . ?
N8 C45 C46 N7 0.4(7) . . . . ?
N9 C47 C48 N10 -1.6(6) . . . . ?
C55 C50 C51 C52 3.5(8) . . . . ?
C56 C50 C51 C52 -176.2(5) . . . . ?
C50 C51 C52 C53 -2.5(8) . . . . ?
C50 C51 C52 C57 175.0(5) . . . . ?
C51 C52 C53 C54 -0.7(9) . . . . ?
C57 C52 C53 C54 -178.3(7) . . . . ?
C52 C53 C54 C55 2.9(12) . . . . ?
C53 C54 C55 C50 -1.9(11) . . . . ?
C51 C50 C55 C54 -1.3(9) . . . . ?
C56 C50 C55 C54 178.4(6) . . . . ?
C51 C50 C56 N10 37.6(7) . . . . ?
C55 C50 C56 N10 -142.1(5) . . . . ?
C51 C52 C57 N12 1.8(8) . . . 3_454 ?
C53 C52 C57 N12 179.2(5) . . . 3_454 ?
N11 C59 C60 N12 0.9(6) . . . . ?
N2 C27 N1 C29 -1.1(5) . . . . ?
N2 C27 N1 Zn1 169.0(3) . . . . ?
C28 C29 N1 C27 0.4(5) . . . . ?
C28 C29 N1 Zn1 -168.2(3) . . . . ?
O5 Zn1 N1 C27 76.1(3) . . . . ?
O4 Zn1 N1 C27 -44.5(3) 2_565 . . . ?
N11 Zn1 N1 C27 -152.8(3) . . . . ?
O5 Zn1 N1 C29 -116.9(4) . . . . ?
O4 Zn1 N1 C29 122.5(4) 2_565 . . . ?
N11 Zn1 N1 C29 14.2(4) . . . . ?
N1 C27 N2 C28 1.5(5) . . . . ?
N1 C27 N2 C25 -172.3(4) . . . . ?
C29 C28 N2 C27 -1.1(5) . . . . ?
C29 C28 N2 C25 172.3(4) . . . . ?
C19 C25 N2 C27 58.5(6) . . . . ?
C19 C25 N2 C28 -113.8(5) . . . . ?
N4 C30 N3 C31 -0.2(5) . . . . ?
N4 C30 N3 C26 -175.4(4) . . . . ?
C32 C31 N3 C30 -0.1(5) . . . . ?
C32 C31 N3 C26 174.8(4) . . . . ?
C21 C26 N3 C30 95.1(5) . . . . ?
C21 C26 N3 C31 -79.0(6) . . . . ?
N3 C30 N4 C32 0.4(5) . . . . ?
N3 C30 N4 Zn2 -169.9(3) . . . 3_556 ?
C31 C32 N4 C30 -0.5(5) . . . . ?
C31 C32 N4 Zn2 170.1(3) . . . 3_556 ?
N6 C41 N5 C43 0.3(5) . . . . ?
N6 C41 N5 C40 -173.5(4) . . . . ?
C42 C43 N5 C41 -0.2(5) . . . . ?
C42 C43 N5 C40 173.7(4) . . . . ?
C35 C40 N5 C41 104.2(5) . . . . ?
C35 C40 N5 C43 -68.5(5) . . . . ?
N5 C41 N6 C42 -0.2(5) . . . . ?
N5 C41 N6 Zn3 -173.7(3) . . . . ?
C43 C42 N6 C41 0.1(5) . . . . ?
C43 C42 N6 Zn3 173.8(3) . . . . ?
O7 Zn3 N6 C41 -88.0(4) . . . . ?
O2 Zn3 N6 C41 57.2(4) . . . . ?
N8 Zn3 N6 C41 159.9(3) 2_544 . . . ?
O7 Zn3 N6 C42 99.8(4) . . . . ?
O2 Zn3 N6 C42 -115.0(4) . . . . ?
N8 Zn3 N6 C42 -12.3(4) 2_544 . . . ?
N8 C44 N7 C46 1.3(6) . . . . ?
N8 C44 N7 C39 174.9(5) . . . . ?
C45 C46 N7 C44 -1.0(7) . . . . ?
C45 C46 N7 C39 -174.7(5) . . . . ?
C33 C39 N7 C44 -82.7(8) . . . . ?
C33 C39 N7 C46 89.7(7) . . . . ?
N7 C44 N8 C45 -1.0(5) . . . . ?
N7 C44 N8 Zn3 -168.5(3) . . . 2_545 ?
C46 C45 N8 C44 0.4(6) . . . . ?
C46 C45 N8 Zn3 166.8(4) . . . 2_545 ?
N10 C49 N9 C47 -0.5(5) . . . . ?
N10 C49 N9 Zn2 176.5(3) . . . . ?
C48 C47 N9 C49 1.3(5) . . . . ?
C48 C47 N9 Zn2 -174.9(3) . . . . ?
O9 Zn2 N9 C49 80.6(3) . . . . ?
O12 Zn2 N9 C49 -41.8(3) . . . . ?
N4 Zn2 N9 C49 -150.8(3) 3_444 . . . ?
O9 Zn2 N9 C47 -103.5(4) . . . . ?
O12 Zn2 N9 C47 134.0(4) . . . . ?
N4 Zn2 N9 C47 25.0(5) 3_444 . . . ?
N9 C49 N10 C48 -0.5(5) . . . . ?
N9 C49 N10 C56 -174.5(4) . . . . ?
C47 C48 N10 C49 1.3(6) . . . . ?
C47 C48 N10 C56 175.1(4) . . . . ?
C50 C56 N10 C49 42.0(7) . . . . ?
C50 C56 N10 C48 -130.8(5) . . . . ?
N12 C58 N11 C59 0.0(5) . . . . ?
N12 C58 N11 Zn1 -170.5(3) . . . . ?
C60 C59 N11 C58 -0.6(6) . . . . ?
C60 C59 N11 Zn1 170.7(3) . . . . ?
O5 Zn1 N11 C58 88.5(4) . . . . ?
O4 Zn1 N11 C58 -158.4(4) 2_565 . . . ?
N1 Zn1 N11 C58 -42.5(5) . . . . ?
O5 Zn1 N11 C59 -80.6(4) . . . . ?
O4 Zn1 N11 C59 32.6(4) 2_565 . . . ?
N1 Zn1 N11 C59 148.5(4) . . . . ?
N11 C58 N12 C60 0.5(6) . . . . ?
N11 C58 N12 C57 -174.3(4) . . . 3_546 ?
C59 C60 N12 C58 -0.9(6) . . . . ?
C59 C60 N12 C57 173.9(5) . . . 3_546 ?
O1 C7 O2 Zn3 1.4(6) . . . . ?
C1 C7 O2 Zn3 -177.8(3) . . . . ?
O7 Zn3 O2 C7 68.5(3) . . . . ?
N8 Zn3 O2 C7 -167.8(3) 2_544 . . . ?
N6 Zn3 O2 C7 -67.1(3) . . . . ?
O3 C8 O4 Zn1 -11.9(6) . . . 2_564 ?
C3 C8 O4 Zn1 164.0(3) . . . 2_564 ?
O6 C9 O5 Zn1 10.2(6) . . . . ?
C5 C9 O5 Zn1 -169.7(3) . . . . ?
O4 Zn1 O5 C9 -171.6(3) 2_565 . . . ?
N1 Zn1 O5 C9 67.1(3) . . . . ?
N11 Zn1 O5 C9 -66.3(3) . . . . ?
O8 C16 O7 Zn3 -18.3(6) . . . . ?
C10 C16 O7 Zn3 160.5(3) . . . . ?
O2 Zn3 O7 C16 66.1(3) . . . . ?
N8 Zn3 O7 C16 -54.1(3) 2_544 . . . ?
N6 Zn3 O7 C16 -158.0(3) . . . . ?
O10 C17 O9 Zn2 8.8(6) . . . . ?
C12 C17 O9 Zn2 -171.7(3) . . . . ?
O12 Zn2 O9 C17 -162.9(3) . . . . ?
N4 Zn2 O9 C17 -56.9(4) 3_444 . . . ?
N9 Zn2 O9 C17 73.9(4) . . . . ?
O11 C18 O12 Zn2 7.3(6) . . . . ?
C14 C18 O12 Zn2 -171.4(3) 2_564 . . . ?
O9 Zn2 O12 C18 -61.1(3) . . . . ?
N4 Zn2 O12 C18 -178.3(3) 3_444 . . . ?
N9 Zn2 O12 C18 59.7(3) . . . . ?
