#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:14 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180423 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/92/7209244.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_7209244
loop_
_publ_author_name
'Liu, Ying-Ying'
'Liu, Hai-Yan'
'Ma, Jian-Fang'
'Yang, Yan'
'Yang, Jin'
_publ_section_title
;
 Syntheses, structures and photoluminescent properties of Zn(ii) and
 Cd(ii) coordination polymers with flexible tripodal triazole-containing
 ligands
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              1897
_journal_paper_doi               10.1039/c2ce26958a
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C60 H56 N18 O13 Zn3'
_chemical_formula_weight         1433.34
_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                103.393(8)
_cell_angle_beta                 102.889(7)
_cell_angle_gamma                105.532(2)
_cell_formula_units_Z            2
_cell_length_a                   13.3713(14)
_cell_length_b                   14.7967(17)
_cell_length_c                   16.661(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2943.3(6)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_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  0.1266
_diffrn_reflns_av_sigmaI/netI    0.0908
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            44601
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.21
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    1.297
_exptl_absorpt_correction_T_max  0.8001
_exptl_absorpt_correction_T_min  0.7376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.601
_refine_diff_density_min         -0.702
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     863
_refine_ls_number_reflns         10468
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.1316
_refine_ls_R_factor_gt           0.0660
_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)+(0.0945P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1516
_refine_ls_wR_factor_ref         0.1854
_reflns_number_gt                5766
_reflns_number_total             10468
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26958a.txt
_cod_data_source_block           5
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7209244
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 0.70891(6) 0.31706(6) 0.52097(5) 0.0495(2) Uani 1 1 d .
Zn2 Zn 1.31894(6) 0.36535(6) 1.14223(5) 0.0458(2) Uani 1 1 d .
Zn3 Zn 1.28214(6) -0.01108(6) 0.81784(5) 0.0482(2) Uani 1 1 d .
C1 C 1.1194(5) 0.0301(5) 0.7263(5) 0.0441(16) Uani 1 1 d .
C2 C 1.0467(4) 0.0879(4) 0.6993(4) 0.0362(13) Uani 1 1 d .
C3 C 1.0341(5) 0.1617(5) 0.7596(4) 0.0396(14) Uani 1 1 d .
H3 H 1.0708 0.1769 0.8180 0.048 Uiso 1 1 calc R
C4 C 0.9671(5) 0.2136(5) 0.7338(4) 0.0407(14) Uani 1 1 d .
H4 H 0.9582 0.2628 0.7750 0.049 Uiso 1 1 calc R
C5 C 0.9127(5) 0.1920(4) 0.6458(4) 0.0378(14) Uani 1 1 d .
C6 C 0.9265(5) 0.1193(5) 0.5860(4) 0.0446(15) Uani 1 1 d .
H6 H 0.8916 0.1053 0.5274 0.054 Uiso 1 1 calc R
C7 C 0.9923(5) 0.0661(5) 0.6121(4) 0.0434(15) Uani 1 1 d .
H7 H 0.9999 0.0159 0.5711 0.052 Uiso 1 1 calc R
C8 C 0.8403(5) 0.2510(5) 0.6203(5) 0.0442(16) Uani 1 1 d .
C9 C 0.5834(7) 0.2389(5) 0.3562(5) 0.0550(18) Uani 1 1 d .
C10 C 0.5491(5) 0.2130(5) 0.2572(4) 0.0417(15) Uani 1 1 d .
C11 C 0.4621(5) 0.1274(5) 0.2081(4) 0.0486(16) Uani 1 1 d .
H11 H 0.4234 0.0897 0.2359 0.058 Uiso 1 1 calc R
C12 C 0.4327(5) 0.0980(5) 0.1202(4) 0.0425(15) Uani 1 1 d .
H12 H 0.3753 0.0398 0.0885 0.051 Uiso 1 1 calc R
C13 C 0.4878(5) 0.1543(5) 0.0771(4) 0.0381(14) Uani 1 1 d .
C14 C 0.5725(5) 0.2407(5) 0.1265(4) 0.0446(15) Uani 1 1 d .
H14 H 0.6094 0.2801 0.0990 0.053 Uiso 1 1 calc R
C15 C 0.6031(5) 0.2693(5) 0.2153(4) 0.0474(16) Uani 1 1 d .
H15 H 0.6607 0.3273 0.2472 0.057 Uiso 1 1 calc R
C16 C 0.4555(7) 0.1239(6) -0.0199(5) 0.0557(18) Uani 1 1 d .
C17 C 1.1723(5) 0.4191(5) 1.0501(5) 0.0397(15) Uani 1 1 d .
C18 C 1.0825(5) 0.4625(4) 1.0246(4) 0.0377(14) Uani 1 1 d .
C19 C 1.0586(5) 0.5263(5) 1.0866(4) 0.0421(15) Uani 1 1 d .
H19 H 1.0973 0.5437 1.1449 0.051 Uiso 1 1 calc R
C20 C 0.9772(5) 0.5637(5) 1.0615(4) 0.0410(14) Uani 1 1 d .
H20 H 0.9622 0.6074 1.1031 0.049 Uiso 1 1 calc R
C21 C 1.3611(5) 0.3929(5) 1.3240(4) 0.0477(16) Uani 1 1 d .
C22 C 1.4348(5) 0.4471(4) 1.4147(4) 0.0368(14) Uani 1 1 d .
C23 C 1.5411(5) 0.5058(5) 1.4310(4) 0.0464(16) Uani 1 1 d .
H23 H 1.5702 0.5091 1.3855 0.056 Uiso 1 1 calc R
C24 C 1.6046(5) 0.5600(5) 1.5159(4) 0.0431(15) Uani 1 1 d .
H24 H 1.6750 0.6019 1.5262 0.052 Uiso 1 1 calc R
C25 C 1.1516(6) -0.2335(5) 0.7810(5) 0.062(2) Uani 1 1 d .
H25 H 1.1226 -0.2470 0.7217 0.075 Uiso 1 1 calc R
C26 C 1.2401(5) -0.1563(5) 0.9116(4) 0.0435(15) Uani 1 1 d .
H26 H 1.2851 -0.1077 0.9630 0.052 Uiso 1 1 calc R
C27 C 1.1797(6) -0.2954(5) 0.9730(4) 0.0467(16) Uani 1 1 d .
H27A H 1.2360 -0.3253 0.9808 0.056 Uiso 1 1 calc R
H27B H 1.1096 -0.3473 0.9549 0.056 Uiso 1 1 calc R
C28 C 1.1935(5) -0.2213(4) 1.0584(4) 0.0390(14) Uani 1 1 d .
C29 C 1.1304(4) -0.1598(4) 1.0597(4) 0.0375(14) Uani 1 1 d .
C30 C 1.0334(5) -0.1802(5) 0.9807(5) 0.0494(17) Uani 1 1 d .
H30A H 1.0494 -0.1292 0.9541 0.074 Uiso 1 1 calc R
H30B H 0.9699 -0.1812 0.9988 0.074 Uiso 1 1 calc R
H30C H 1.0202 -0.2428 0.9398 0.074 Uiso 1 1 calc R
C31 C 1.1538(4) -0.0813(4) 1.1350(4) 0.0382(14) Uani 1 1 d .
C32 C 1.0947(5) -0.0075(5) 1.1329(4) 0.0418(14) Uani 1 1 d .
H32A H 1.0217 -0.0402 1.0927 0.050 Uiso 1 1 calc R
H32B H 1.0886 0.0187 1.1899 0.050 Uiso 1 1 calc R
C33 C 1.2168(5) 0.1481(5) 1.0248(4) 0.0412(14) Uani 1 1 d .
H33 H 1.2352 0.1616 0.9772 0.049 Uiso 1 1 calc R
C34 C 1.2041(5) 0.1697(5) 1.1504(4) 0.0414(15) Uani 1 1 d .
H34 H 1.2096 0.1980 1.2079 0.050 Uiso 1 1 calc R
C35 C 1.2339(5) -0.0691(4) 1.2112(4) 0.0381(14) Uani 1 1 d .
C36 C 1.2889(5) -0.1379(4) 1.2110(4) 0.0383(14) Uani 1 1 d .
C37 C 1.2705(5) -0.2133(5) 1.1352(5) 0.0429(16) Uani 1 1 d .
C38 C 1.3297(6) -0.2875(5) 1.1350(5) 0.0555(18) Uani 1 1 d .
H38A H 1.2852 -0.3455 1.1429 0.083 Uiso 1 1 calc R
H38B H 1.3972 -0.2590 1.1813 0.083 Uiso 1 1 calc R
H38C H 1.3444 -0.3050 1.0807 0.083 Uiso 1 1 calc R
C39 C 1.2546(5) 0.0115(5) 1.2926(4) 0.0508(17) Uani 1 1 d .
H39A H 1.2498 0.0699 1.2787 0.076 Uiso 1 1 calc R
H39B H 1.3261 0.0253 1.3306 0.076 Uiso 1 1 calc R
H39C H 1.2012 -0.0091 1.3208 0.076 Uiso 1 1 calc R
C40 C 1.3723(5) -0.1279(5) 1.2942(4) 0.0463(16) Uani 1 1 d .
H40A H 1.3539 -0.0956 1.3437 0.056 Uiso 1 1 calc R
H40B H 1.3711 -0.1929 1.2971 0.056 Uiso 1 1 calc R
C41 C 1.6433(6) 0.0261(5) 1.3493(5) 0.0524(18) Uani 1 1 d .
H41 H 1.7097 0.0696 1.3881 0.063 Uiso 1 1 calc R
C42 C 1.5223(5) -0.0628(5) 1.2328(4) 0.0439(15) Uani 1 1 d .
H42 H 1.4837 -0.0949 1.1746 0.053 Uiso 1 1 calc R
C45 C 0.3418(6) 0.1976(5) 0.6190(6) 0.0567(19) Uani 1 1 d .
H45A H 0.3528 0.1664 0.6638 0.068 Uiso 1 1 calc R
H45B H 0.3042 0.1459 0.5640 0.068 Uiso 1 1 calc R
C46 C 0.2713(5) 0.2598(4) 0.6365(4) 0.0409(15) Uani 1 1 d .
C47 C 0.1998(5) 0.2723(5) 0.5698(4) 0.0460(16) Uani 1 1 d .
C48 C 0.1414(5) 0.3369(5) 0.5900(5) 0.0473(17) Uani 1 1 d .
C49 C 0.1628(5) 0.3915(5) 0.6737(5) 0.0520(18) Uani 1 1 d .
C50 C 0.2347(5) 0.3782(5) 0.7419(5) 0.0488(16) Uani 1 1 d .
C51 C 0.2845(5) 0.3081(5) 0.7237(4) 0.0428(15) Uani 1 1 d .
C52 C 0.3495(6) 0.2825(6) 0.7966(5) 0.065(2) Uani 1 1 d .
H52A H 0.4246 0.3233 0.8139 0.097 Uiso 1 1 calc R
H52B H 0.3436 0.2144 0.7771 0.097 Uiso 1 1 calc R
H52C H 0.3216 0.2937 0.8449 0.097 Uiso 1 1 calc R
C53 C 0.1060(8) 0.4682(7) 0.6950(7) 0.085(3) Uani 1 1 d .
H53A H 0.0729 0.4798 0.6427 0.127 Uiso 1 1 calc R
H53B H 0.1589 0.5289 0.7349 0.127 Uiso 1 1 calc R
H53C H 0.0510 0.4437 0.7205 0.127 Uiso 1 1 calc R
C54 C 0.1819(8) 0.2152(6) 0.4756(5) 0.077(2) Uani 1 1 d .
H54A H 0.2459 0.1994 0.4708 0.115 Uiso 1 1 calc R
H54B H 0.1678 0.2550 0.4393 0.115 Uiso 1 1 calc R
H54C H 0.1207 0.1554 0.4575 0.115 Uiso 1 1 calc R
C55 C 0.2588(6) 0.4399(7) 0.8343(6) 0.074(2) Uani 1 1 d .
H55A H 0.2113 0.4792 0.8363 0.088 Uiso 1 1 calc R
H55B H 0.2436 0.3967 0.8692 0.088 Uiso 1 1 calc R
C56 C 0.4527(5) 0.5224(5) 0.8345(5) 0.0499(16) Uani 1 1 d .
H56 H 0.4447 0.4927 0.7767 0.060 Uiso 1 1 calc R
C57 C 0.5156(6) 0.6079(6) 0.9643(5) 0.0584(19) Uani 1 1 d .
H57 H 0.5644 0.6516 1.0168 0.070 Uiso 1 1 calc R
C58 C 0.6021(5) 0.3623(5) 0.6622(4) 0.0452(16) Uani 1 1 d .
H58 H 0.6640 0.4152 0.6973 0.054 Uiso 1 1 calc R
C59 C 0.4952(5) 0.2427(5) 0.5561(5) 0.0486(16) Uani 1 1 d .
H59 H 0.4640 0.1942 0.5024 0.058 Uiso 1 1 calc R
C60 C 0.1711(5) 0.4997(5) 0.5069(5) 0.0531(18) Uani 1 1 d .
H60 H 0.2063 0.5303 0.5658 0.064 Uiso 1 1 calc R
C61 C 0.1193(5) 0.4696(5) 0.3733(5) 0.0548(18) Uani 1 1 d .
H61 H 0.1125 0.4767 0.3185 0.066 Uiso 1 1 calc R
C62 C 0.0547(6) 0.3399(6) 0.5161(6) 0.071(2) Uani 1 1 d .
H62A H 0.0209 0.2746 0.4740 0.085 Uiso 1 1 calc R
H62B H -0.0011 0.3576 0.5380 0.085 Uiso 1 1 calc R
N1 N 1.2206(4) -0.1439(4) 0.8337(3) 0.0444(13) Uani 1 1 d .
N2 N 1.1289(5) -0.2995(4) 0.8199(4) 0.0640(17) Uani 1 1 d .
N3 N 1.1865(4) -0.2477(4) 0.9053(3) 0.0416(12) Uani 1 1 d .
N4 N 1.2444(4) 0.2177(4) 1.1017(3) 0.0386(12) Uani 1 1 d .
N5 N 1.1615(4) 0.0590(4) 1.0231(4) 0.0447(13) Uani 1 1 d .
N6 N 1.1541(4) 0.0743(4) 1.1059(3) 0.0396(12) Uani 1 1 d .
N7 N 1.5602(4) -0.0111(5) 1.3739(4) 0.0525(14) Uani 1 1 d .
N8 N 1.6254(4) -0.0037(4) 1.2625(3) 0.0389(12) Uani 1 1 d .
N9 N 1.4826(4) -0.0696(4) 1.2972(3) 0.0397(12) Uani 1 1 d .
N10 N 0.5946(4) 0.3095(4) 0.5827(4) 0.0447(13) Uani 1 1 d .
N11 N 0.4479(4) 0.2555(4) 0.6165(4) 0.0441(13) Uani 1 1 d .
N12 N 0.5153(5) 0.3335(4) 0.6870(4) 0.0488(13) Uani 1 1 d .
N13 N 0.3740(4) 0.5062(4) 0.8715(4) 0.0486(13) Uani 1 1 d .
N14 N 0.4127(6) 0.5617(5) 0.9549(4) 0.0608(16) Uani 1 1 d .
N15 N 0.5439(4) 0.5866(4) 0.8918(3) 0.0407(12) Uani 1 1 d .
N16 N 0.0980(4) 0.4107(4) 0.4729(4) 0.0510(15) Uani 1 1 d .
N17 N 0.1875(4) 0.5398(4) 0.4455(3) 0.0428(12) Uani 1 1 d .
N18 N 0.0624(5) 0.3892(5) 0.3863(4) 0.0649(18) Uani 1 1 d .
O1 O 1.1181(4) -0.0443(4) 0.6731(4) 0.0666(15) Uani 1 1 d .
O2 O 1.1819(4) 0.0635(3) 0.8042(3) 0.0508(11) Uani 1 1 d .
O3 O 0.7919(4) 0.2278(3) 0.5394(3) 0.0493(11) Uani 1 1 d .
O4 O 0.8341(4) 0.3190(4) 0.6760(3) 0.0619(14) Uani 1 1 d .
O5 O 0.6713(5) 0.3041(4) 0.3964(3) 0.0680(15) Uani 1 1 d .
O6 O 0.5230(6) 0.1912(5) 0.3882(4) 0.092(2) Uani 1 1 d .
O7 O 0.4794(12) 0.1846(7) -0.0599(6) 0.072(4) Uani 0.50 1 d P
O7' O 0.5367(10) 0.1588(9) -0.0482(8) 0.065(3) Uiso 0.50 1 d P
O8 O 0.3741(4) 0.0468(4) -0.0610(3) 0.0549(12) Uani 1 1 d .
O9 O 1.2202(4) 0.4420(3) 1.1312(3) 0.0522(12) Uani 1 1 d .
O10 O 1.1917(4) 0.3626(4) 0.9942(3) 0.0535(12) Uani 1 1 d .
O11 O 1.4022(4) 0.4084(4) 1.2649(3) 0.0515(12) Uani 1 1 d .
O12 O 1.2680(4) 0.3401(5) 1.3117(3) 0.0755(17) Uani 1 1 d .
O1W O 1.0584(12) 0.1687(13) 1.2644(13) 0.232(7) Uani 1 1 d D
H1B H 1.096(16) 0.229(10) 1.303(16) 0.349 Uiso 1 1 d D
H1A H 0.988(6) 0.159(19) 1.262(19) 0.349 Uiso 1 1 d 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
O3 Zn1 O5 106.9(2) . .
O3 Zn1 N10 113.2(2) . .
O5 Zn1 N10 120.8(2) . .
O3 Zn1 N17 110.7(2) . 2_666
O5 Zn1 N17 92.2(2) . 2_666
N10 Zn1 N17 111.0(2) . 2_666
O11 Zn2 O9 106.6(2) . .
O11 Zn2 N4 109.3(2) . .
O9 Zn2 N4 114.8(2) . .
O11 Zn2 N15 92.0(2) . 2_767
O9 Zn2 N15 115.6(2) . 2_767
N4 Zn2 N15 115.4(2) . 2_767
O2 Zn3 O8 105.4(2) . 1_656
O2 Zn3 N1 115.8(2) . .
O8 Zn3 N1 92.3(2) 1_656 .
O2 Zn3 N8 110.4(2) . 2_857
O8 Zn3 N8 110.3(2) 1_656 2_857
N1 Zn3 N8 120.0(2) . 2_857
O1 C1 O2 122.9(6) . .
O1 C1 C2 120.1(6) . .
O2 C1 C2 116.9(6) . .
C3 C2 C7 119.5(5) . .
C3 C2 C1 121.3(6) . .
C7 C2 C1 119.3(6) . .
C2 C3 C4 120.5(6) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C3 C4 C5 120.0(6) . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C6 C5 C4 119.2(5) . .
C6 C5 C8 122.5(6) . .
C4 C5 C8 118.3(6) . .
C5 C6 C7 120.6(6) . .
C5 C6 H6 119.7 . .
C7 C6 H6 119.7 . .
C2 C7 C6 120.1(6) . .
C2 C7 H7 119.9 . .
C6 C7 H7 119.9 . .
O4 C8 O3 123.9(6) . .
O4 C8 C5 120.2(6) . .
O3 C8 C5 115.8(6) . .
O6 C9 O5 125.5(8) . .
O6 C9 C10 117.7(7) . .
O5 C9 C10 116.8(7) . .
C15 C10 C11 118.8(6) . .
C15 C10 C9 122.4(6) . .
C11 C10 C9 118.7(6) . .
C12 C11 C10 121.0(6) . .
C12 C11 H11 119.5 . .
C10 C11 H11 119.5 . .
C11 C12 C13 120.6(6) . .
C11 C12 H12 119.7 . .
C13 C12 H12 119.7 . .
C14 C13 C12 118.0(6) . .
C14 C13 C16 120.6(6) . .
C12 C13 C16 121.4(6) . .
C15 C14 C13 121.3(6) . .
C15 C14 H14 119.4 . .
C13 C14 H14 119.4 . .
C10 C15 C14 120.3(6) . .
C10 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
O7 C16 O8 116.4(8) . .
O7 C16 O7' 43.3(7) . .
O8 C16 O7' 125.4(8) . .
O7 C16 C13 122.0(8) . .
O8 C16 C13 117.3(6) . .
O7' C16 C13 112.2(8) . .
O10 C17 O9 123.6(5) . .
O10 C17 C18 119.9(6) . .
O9 C17 C18 116.4(6) . .
C20 C18 C19 119.2(5) 2_767 .
C20 C18 C17 119.7(6) 2_767 .
C19 C18 C17 121.1(6) . .
C20 C19 C18 119.6(6) . .
C20 C19 H19 120.2 . .
C18 C19 H19 120.2 . .
C19 C20 C18 121.2(6) . 2_767
C19 C20 H20 119.4 . .
C18 C20 H20 119.4 2_767 .
O12 C21 O11 125.0(6) . .
O12 C21 C22 119.8(7) . .
O11 C21 C22 115.2(6) . .
C23 C22 C24 118.8(6) . 2_868
C23 C22 C21 121.4(6) . .
C24 C22 C21 119.7(6) 2_868 .
C22 C23 C24 119.6(6) . .
C22 C23 H23 120.2 . .
C24 C23 H23 120.2 . .
C22 C24 C23 121.5(6) 2_868 .
C22 C24 H24 119.3 2_868 .
C23 C24 H24 119.3 . .
N2 C25 N1 114.7(7) . .
N2 C25 H25 122.7 . .
N1 C25 H25 122.7 . .
N3 C26 N1 110.0(6) . .
N3 C26 H26 125.0 . .
N1 C26 H26 125.0 . .
N3 C27 C28 111.1(5) . .
N3 C27 H27A 109.4 . .
C28 C27 H27A 109.4 . .
N3 C27 H27B 109.4 . .
C28 C27 H27B 109.4 . .
H27A C27 H27B 108.0 . .
C29 C28 C37 120.2(6) . .
C29 C28 C27 119.2(5) . .
C37 C28 C27 120.6(5) . .
C28 C29 C31 119.6(5) . .
C28 C29 C30 120.2(6) . .
C31 C29 C30 120.2(5) . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C35 C31 C29 120.7(5) . .
C35 C31 C32 119.8(6) . .
C29 C31 C32 119.5(5) . .
N6 C32 C31 110.5(5) . .
N6 C32 H32A 109.5 . .
C31 C32 H32A 109.5 . .
N6 C32 H32B 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 108.1 . .
N5 C33 N4 114.0(6) . .
N5 C33 H33 123.0 . .
N4 C33 H33 123.0 . .
N4 C34 N6 110.4(6) . .
N4 C34 H34 124.8 . .
N6 C34 H34 124.8 . .
C31 C35 C36 118.6(6) . .
C31 C35 C39 120.6(5) . .
C36 C35 C39 120.7(5) . .
C37 C36 C35 121.2(5) . .
C37 C36 C40 119.7(5) . .
C35 C36 C40 119.1(6) . .
C36 C37 C28 119.1(5) . .
C36 C37 C38 121.2(6) . .
C28 C37 C38 119.6(6) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C35 C39 H39A 109.5 . .
C35 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C35 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
N9 C40 C36 110.3(5) . .
N9 C40 H40A 109.6 . .
C36 C40 H40A 109.6 . .
N9 C40 H40B 109.6 . .
C36 C40 H40B 109.6 . .
H40A C40 H40B 108.1 . .
N7 C41 N8 114.5(6) . .
N7 C41 H41 122.7 . .
N8 C41 H41 122.7 . .
N9 C42 N8 110.4(6) . .
N9 C42 H42 124.8 . .
N8 C42 H42 124.8 . .
N11 C45 C46 112.5(5) . .
N11 C45 H45A 109.1 . .
C46 C45 H45A 109.1 . .
N11 C45 H45B 109.1 . .
C46 C45 H45B 109.1 . .
H45A C45 H45B 107.8 . .
C47 C46 C51 121.0(6) . .
C47 C46 C45 121.3(6) . .
C51 C46 C45 117.6(6) . .
C46 C47 C48 118.8(6) . .
C46 C47 C54 120.4(7) . .
C48 C47 C54 120.7(6) . .
C49 C48 C47 120.0(6) . .
C49 C48 C62 122.7(7) . .
C47 C48 C62 117.3(7) . .
C48 C49 C50 121.1(7) . .
C48 C49 C53 120.0(7) . .
C50 C49 C53 118.9(8) . .
C51 C50 C49 119.4(7) . .
C51 C50 C55 119.9(7) . .
C49 C50 C55 120.7(7) . .
C50 C51 C46 119.0(6) . .
C50 C51 C52 120.2(6) . .
C46 C51 C52 120.8(6) . .
C51 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C51 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C49 C53 H53A 109.5 . .
C49 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C49 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C47 C54 H54A 109.5 . .
C47 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C47 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
N13 C55 C50 111.7(6) . .
N13 C55 H55A 109.3 . .
C50 C55 H55A 109.3 . .
N13 C55 H55B 109.3 . .
C50 C55 H55B 109.3 . .
H55A C55 H55B 107.9 . .
N15 C56 N13 110.1(6) . .
N15 C56 H56 124.9 . .
N13 C56 H56 124.9 . .
N14 C57 N15 114.2(6) . .
N14 C57 H57 122.9 . .
N15 C57 H57 122.9 . .
N12 C58 N10 114.9(6) . .
N12 C58 H58 122.6 . .
N10 C58 H58 122.6 . .
N11 C59 N10 109.9(6) . .
N11 C59 H59 125.0 . .
N10 C59 H59 125.0 . .
N16 C60 N17 110.6(6) . .
N16 C60 H60 124.7 . .
N17 C60 H60 124.7 . .
N18 C61 N17 114.3(7) . .
N18 C61 H61 122.8 . .
N17 C61 H61 122.8 . .
N16 C62 C48 112.8(6) . .
N16 C62 H62A 109.0 . .
C48 C62 H62A 109.0 . .
N16 C62 H62B 109.0 . .
C48 C62 H62B 109.0 . .
H62A C62 H62B 107.8 . .
C26 N1 C25 103.1(6) . .
C26 N1 Zn3 121.7(4) . .
C25 N1 Zn3 135.1(5) . .
C25 N2 N3 102.8(6) . .
C26 N3 N2 109.4(5) . .
C26 N3 C27 130.1(5) . .
N2 N3 C27 120.5(5) . .
C34 N4 C33 104.2(5) . .
C34 N4 Zn2 123.0(4) . .
C33 N4 Zn2 132.7(4) . .
C33 N5 N6 102.6(5) . .
C34 N6 N5 108.9(5) . .
C34 N6 C32 129.8(6) . .
N5 N6 C32 121.3(5) . .
C41 N7 N9 102.8(5) . .
C42 N8 C41 102.7(6) . .
C42 N8 Zn3 121.1(4) . 2_857
C41 N8 Zn3 135.8(4) . 2_857
C42 N9 N7 109.6(5) . .
C42 N9 C40 128.8(5) . .
N7 N9 C40 121.6(5) . .
C59 N10 C58 103.0(6) . .
C59 N10 Zn1 127.1(5) . .
C58 N10 Zn1 129.6(4) . .
C59 N11 N12 110.4(5) . .
C59 N11 C45 129.9(6) . .
N12 N11 C45 119.6(6) . .
C58 N12 N11 101.7(5) . .
C56 N13 N14 109.5(6) . .
C56 N13 C55 130.2(6) . .
N14 N13 C55 120.3(6) . .
C57 N14 N13 103.1(6) . .
C56 N15 C57 103.1(6) . .
C56 N15 Zn2 121.5(4) . 2_767
C57 N15 Zn2 135.3(5) . 2_767
C60 N16 N18 109.6(6) . .
C60 N16 C62 129.4(7) . .
N18 N16 C62 121.0(6) . .
C60 N17 C61 102.8(6) . .
C60 N17 Zn1 119.8(4) . 2_666
C61 N17 Zn1 137.2(5) . 2_666
C61 N18 N16 102.7(6) . .
C1 O2 Zn3 109.1(4) . .
C8 O3 Zn1 108.8(4) . .
C9 O5 Zn1 110.9(5) . .
O7' O7 C16 71.4(11) . .
O7 O7' C16 65.3(10) . .
C16 O8 Zn3 134.1(5) . 1_454
C17 O9 Zn2 106.2(4) . .
C21 O11 Zn2 124.1(4) . .
H1B O1W H1A 105.00 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O3 1.973(4) .
Zn1 O5 1.974(5) .
Zn1 N10 2.017(6) .
Zn1 N17 2.062(5) 2_666
Zn2 O11 1.956(4) .
Zn2 O9 1.963(4) .
Zn2 N4 2.018(5) .
Zn2 N15 2.035(5) 2_767
Zn3 O2 1.959(4) .
Zn3 O8 1.962(5) 1_656
Zn3 N1 2.020(5) .
Zn3 N8 2.024(5) 2_857
C1 O1 1.236(8) .
C1 O2 1.275(8) .
C1 C2 1.519(8) .
C2 C3 1.377(9) .
C2 C7 1.388(9) .
C3 C4 1.388(8) .
C3 H3 0.9300 .
C4 C5 1.402(9) .
C4 H4 0.9300 .
C5 C6 1.369(9) .
C5 C8 1.524(8) .
C6 C7 1.394(9) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O4 1.236(8) .
C8 O3 1.277(8) .
C9 O6 1.223(10) .
C9 O5 1.226(9) .
C9 C10 1.534(10) .
C10 C15 1.369(10) .
C10 C11 1.390(9) .
C11 C12 1.359(9) .
C11 H11 0.9300 .
C12 C13 1.391(9) .
C12 H12 0.9300 .
C13 C14 1.384(9) .
C13 C16 1.500(10) .
C14 C15 1.372(10) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 O7 1.253(12) .
C16 O8 1.263(9) .
C16 O7' 1.308(14) .
C17 O10 1.224(8) .
C17 O9 1.280(8) .
C17 C18 1.531(8) .
C18 C20 1.383(9) 2_767
C18 C19 1.385(9) .
C19 C20 1.375(8) .
C19 H19 0.9300 .
C20 C18 1.383(9) 2_767
C20 H20 0.9300 .
C21 O12 1.222(8) .
C21 O11 1.265(9) .
C21 C22 1.500(9) .
C22 C23 1.381(9) .
C22 C24 1.388(9) 2_868
C23 C24 1.392(9) .
C23 H23 0.9300 .
C24 C22 1.388(9) 2_868
C24 H24 0.9300 .
C25 N2 1.299(10) .
C25 N1 1.351(9) .
C25 H25 0.9300 .
C26 N3 1.317(8) .
C26 N1 1.332(8) .
C26 H26 0.9300 .
C27 N3 1.469(8) .
C27 C28 1.521(10) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C29 1.398(8) .
C28 C37 1.410(9) .
C29 C31 1.405(9) .
C29 C30 1.532(8) .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C35 1.405(9) .
C31 C32 1.512(8) .
C32 N6 1.482(8) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 N5 1.318(8) .
C33 N4 1.346(8) .
C33 H33 0.9300 .
C34 N4 1.307(8) .
C34 N6 1.333(8) .
C34 H34 0.9300 .
C35 C36 1.406(8) .
C35 C39 1.498(10) .
C36 C37 1.400(10) .
C36 C40 1.521(9) .
C37 C38 1.516(9) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 N9 1.478(8) .
C40 H40A 0.9700 .
C40 H40B 0.9700 .
C41 N7 1.298(9) .
C41 N8 1.356(9) .
C41 H41 0.9300 .
C42 N9 1.310(8) .
C42 N8 1.327(8) .
C42 H42 0.9300 .
C45 N11 1.463(9) .
C45 C46 1.511(9) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 C47 1.378(9) .
C46 C51 1.412(10) .
C47 C48 1.416(10) .
C47 C54 1.531(11) .
C48 C49 1.362(11) .
C48 C62 1.510(10) .
C49 C50 1.404(10) .
C49 C53 1.545(10) .
C50 C51 1.387(9) .
C50 C55 1.509(11) .
C51 C52 1.514(9) .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
C55 N13 1.484(10) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 N15 1.319(8) .
C56 N13 1.329(9) .
C56 H56 0.9300 .
C57 N14 1.318(10) .
C57 N15 1.339(9) .
C57 H57 0.9300 .
C58 N12 1.314(9) .
C58 N10 1.340(9) .
C58 H58 0.9300 .
C59 N11 1.306(9) .
C59 N10 1.330(9) .
C59 H59 0.9300 .
C60 N16 1.314(9) .
C60 N17 1.325(8) .
C60 H60 0.9300 .
C61 N18 1.323(10) .
C61 N17 1.335(9) .
C61 H61 0.9300 .
C62 N16 1.469(9) .
C62 H62A 0.9700 .
C62 H62B 0.9700 .
N2 N3 1.376(8) .
N5 N6 1.375(8) .
N7 N9 1.369(8) .
N8 Zn3 2.024(5) 2_857
N11 N12 1.366(8) .
N13 N14 1.341(8) .
N15 Zn2 2.035(5) 2_767
N16 N18 1.346(9) .
N17 Zn1 2.062(5) 2_666
O7 O7' 0.946(14) .
O8 Zn3 1.962(5) 1_454
O1W H1B 0.90(2) .
O1W H1A 0.91(2) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1B O12 0.90(2) 2.4(2) 3.032(17) 128(21) .
O1W H1A O1 0.91(2) 2.5(3) 3.11(2) 124(25) 2_757
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
O1 C1 C2 C3 170.1(6) . .
O2 C1 C2 C3 -11.6(9) . .
O1 C1 C2 C7 -10.1(9) . .
O2 C1 C2 C7 168.1(6) . .
C7 C2 C3 C4 0.5(9) . .
C1 C2 C3 C4 -179.8(6) . .
C2 C3 C4 C5 -0.8(10) . .
C3 C4 C5 C6 0.1(9) . .
C3 C4 C5 C8 -179.7(6) . .
C4 C5 C6 C7 1.1(10) . .
C8 C5 C6 C7 -179.2(6) . .
C3 C2 C7 C6 0.7(9) . .
C1 C2 C7 C6 -179.1(6) . .
C5 C6 C7 C2 -1.4(10) . .
C6 C5 C8 O4 -176.7(6) . .
C4 C5 C8 O4 3.1(9) . .
C6 C5 C8 O3 0.8(9) . .
C4 C5 C8 O3 -179.4(6) . .
O6 C9 C10 C15 171.5(7) . .
O5 C9 C10 C15 -10.7(10) . .
O6 C9 C10 C11 -10.6(10) . .
O5 C9 C10 C11 167.2(6) . .
C15 C10 C11 C12 2.0(10) . .
C9 C10 C11 C12 -175.9(6) . .
C10 C11 C12 C13 -1.4(10) . .
C11 C12 C13 C14 -0.3(9) . .
C11 C12 C13 C16 -179.0(6) . .
C12 C13 C14 C15 1.3(9) . .
C16 C13 C14 C15 -180.0(6) . .
C11 C10 C15 C14 -1.0(9) . .
C9 C10 C15 C14 176.9(6) . .
C13 C14 C15 C10 -0.7(10) . .
C14 C13 C16 O7 -20.6(13) . .
C12 C13 C16 O7 158.0(10) . .
C14 C13 C16 O8 -176.6(6) . .
C12 C13 C16 O8 2.1(10) . .
C14 C13 C16 O7' 27.2(11) . .
C12 C13 C16 O7' -154.2(8) . .
O10 C17 C18 C20 1.0(9) . 2_767
O9 C17 C18 C20 -176.1(6) . 2_767
O10 C17 C18 C19 179.7(6) . .
O9 C17 C18 C19 2.6(9) . .
C20 C18 C19 C20 -1.1(10) 2_767 .
C17 C18 C19 C20 -179.8(6) . .
C18 C19 C20 C18 1.1(10) . 2_767
O12 C21 C22 C23 178.7(7) . .
O11 C21 C22 C23 -2.8(9) . .
O12 C21 C22 C24 -2.5(10) . 2_868
O11 C21 C22 C24 176.0(6) . 2_868
C24 C22 C23 C24 -3.1(10) 2_868 .
C21 C22 C23 C24 175.8(6) . .
C22 C23 C24 C22 3.2(11) . 2_868
N3 C27 C28 C29 50.6(8) . .
N3 C27 C28 C37 -128.2(6) . .
C37 C28 C29 C31 8.5(9) . .
C27 C28 C29 C31 -170.3(5) . .
C37 C28 C29 C30 -169.1(6) . .
C27 C28 C29 C30 12.0(9) . .
C28 C29 C31 C35 -5.4(9) . .
C30 C29 C31 C35 172.2(6) . .
C28 C29 C31 C32 172.6(5) . .
C30 C29 C31 C32 -9.8(8) . .
C35 C31 C32 N6 89.3(7) . .
C29 C31 C32 N6 -88.7(7) . .
C29 C31 C35 C36 -1.0(8) . .
C32 C31 C35 C36 -179.0(5) . .
C29 C31 C35 C39 -176.8(6) . .
C32 C31 C35 C39 5.2(8) . .
C31 C35 C36 C37 4.4(9) . .
C39 C35 C36 C37 -179.8(6) . .
C31 C35 C36 C40 -177.5(5) . .
C39 C35 C36 C40 -1.6(9) . .
C35 C36 C37 C28 -1.4(9) . .
C40 C36 C37 C28 -179.5(5) . .
C35 C36 C37 C38 -180.0(6) . .
C40 C36 C37 C38 1.9(9) . .
C29 C28 C37 C36 -5.1(9) . .
C27 C28 C37 C36 173.7(5) . .
C29 C28 C37 C38 173.5(6) . .
C27 C28 C37 C38 -7.7(9) . .
C37 C36 C40 N9 85.0(7) . .
C35 C36 C40 N9 -93.2(7) . .
N11 C45 C46 C47 91.3(8) . .
N11 C45 C46 C51 -86.1(7) . .
C51 C46 C47 C48 1.8(9) . .
C45 C46 C47 C48 -175.6(6) . .
C51 C46 C47 C54 -176.7(6) . .
C45 C46 C47 C54 5.9(9) . .
C46 C47 C48 C49 5.3(9) . .
C54 C47 C48 C49 -176.2(6) . .
C46 C47 C48 C62 -173.2(6) . .
C54 C47 C48 C62 5.3(9) . .
C47 C48 C49 C50 -6.1(9) . .
C62 C48 C49 C50 172.4(6) . .
C47 C48 C49 C53 174.9(6) . .
C62 C48 C49 C53 -6.6(10) . .
C48 C49 C50 C51 -0.3(10) . .
C53 C49 C50 C51 178.7(6) . .
C48 C49 C50 C55 179.3(6) . .
C53 C49 C50 C55 -1.7(10) . .
C49 C50 C51 C46 7.2(9) . .
C55 C50 C51 C46 -172.4(6) . .
C49 C50 C51 C52 -171.4(6) . .
C55 C50 C51 C52 9.1(9) . .
C47 C46 C51 C50 -8.0(9) . .
C45 C46 C51 C50 169.5(6) . .
C47 C46 C51 C52 170.6(6) . .
C45 C46 C51 C52 -12.0(9) . .
C51 C50 C55 N13 65.6(9) . .
C49 C50 C55 N13 -113.9(8) . .
C49 C48 C62 N16 94.3(9) . .
C47 C48 C62 N16 -87.2(8) . .
N3 C26 N1 C25 0.3(7) . .
N3 C26 N1 Zn3 176.6(4) . .
N2 C25 N1 C26 -1.0(9) . .
N2 C25 N1 Zn3 -176.5(5) . .
O2 Zn3 N1 C26 -99.7(5) . .
O8 Zn3 N1 C26 8.7(5) 1_656 .
N8 Zn3 N1 C26 123.8(5) 2_857 .
O2 Zn3 N1 C25 75.2(7) . .
O8 Zn3 N1 C25 -176.4(7) 1_656 .
N8 Zn3 N1 C25 -61.3(7) 2_857 .
N1 C25 N2 N3 1.2(9) . .
N1 C26 N3 N2 0.4(7) . .
N1 C26 N3 C27 -178.0(6) . .
C25 N2 N3 C26 -0.9(8) . .
C25 N2 N3 C27 177.7(6) . .
C28 C27 N3 C26 29.2(9) . .
C28 C27 N3 N2 -149.1(6) . .
N6 C34 N4 C33 0.2(6) . .
N6 C34 N4 Zn2 176.3(4) . .
N5 C33 N4 C34 -0.1(6) . .
N5 C33 N4 Zn2 -175.6(4) . .
O11 Zn2 N4 C34 36.4(5) . .
O9 Zn2 N4 C34 -83.3(5) . .
N15 Zn2 N4 C34 138.3(4) 2_767 .
O11 Zn2 N4 C33 -148.8(5) . .
O9 Zn2 N4 C33 91.6(5) . .
N15 Zn2 N4 C33 -46.8(6) 2_767 .
N4 C33 N5 N6 -0.1(6) . .
N4 C34 N6 N5 -0.3(7) . .
N4 C34 N6 C32 -178.4(5) . .
C33 N5 N6 C34 0.2(6) . .
C33 N5 N6 C32 178.5(5) . .
C31 C32 N6 C34 -114.3(7) . .
C31 C32 N6 N5 67.8(7) . .
N8 C41 N7 N9 0.1(8) . .
N9 C42 N8 C41 -1.4(7) . .
N9 C42 N8 Zn3 172.6(4) . 2_857
N7 C41 N8 C42 0.8(8) . .
N7 C41 N8 Zn3 -171.9(5) . 2_857
N8 C42 N9 N7 1.6(7) . .
N8 C42 N9 C40 -179.2(6) . .
C41 N7 N9 C42 -1.0(7) . .
C41 N7 N9 C40 179.7(6) . .
C36 C40 N9 C42 -30.6(9) . .
C36 C40 N9 N7 148.5(6) . .
N11 C59 N10 C58 -0.3(7) . .
N11 C59 N10 Zn1 174.0(4) . .
N12 C58 N10 C59 0.0(7) . .
N12 C58 N10 Zn1 -174.0(4) . .
O3 Zn1 N10 C59 -81.7(6) . .
O5 Zn1 N10 C59 46.9(6) . .
N17 Zn1 N10 C59 153.0(5) 2_666 .
O3 Zn1 N10 C58 91.0(5) . .
O5 Zn1 N10 C58 -140.4(5) . .
N17 Zn1 N10 C58 -34.3(6) 2_666 .
N10 C59 N11 N12 0.4(7) . .
N10 C59 N11 C45 -176.3(6) . .
C46 C45 N11 C59 -125.3(7) . .
C46 C45 N11 N12 58.2(8) . .
N10 C58 N12 N11 0.2(7) . .
C59 N11 N12 C58 -0.4(7) . .
C45 N11 N12 C58 176.8(5) . .
N15 C56 N13 N14 0.9(8) . .
N15 C56 N13 C55 -179.2(7) . .
C50 C55 N13 C56 4.7(12) . .
C50 C55 N13 N14 -175.3(6) . .
N15 C57 N14 N13 1.2(9) . .
C56 N13 N14 C57 -1.2(8) . .
C55 N13 N14 C57 178.9(7) . .
N13 C56 N15 C57 -0.1(8) . .
N13 C56 N15 Zn2 -177.2(4) . 2_767
N14 C57 N15 C56 -0.7(9) . .
N14 C57 N15 Zn2 175.7(5) . 2_767
N17 C60 N16 N18 -0.6(8) . .
N17 C60 N16 C62 -179.8(7) . .
C48 C62 N16 C60 -40.5(12) . .
C48 C62 N16 N18 140.4(7) . .
N16 C60 N17 C61 0.4(8) . .
N16 C60 N17 Zn1 176.3(4) . 2_666
N18 C61 N17 C60 -0.1(8) . .
N18 C61 N17 Zn1 -174.9(5) . 2_666
N17 C61 N18 N16 -0.2(8) . .
C60 N16 N18 C61 0.5(8) . .
C62 N16 N18 C61 179.8(6) . .
O1 C1 O2 Zn3 6.8(8) . .
C2 C1 O2 Zn3 -171.4(4) . .
O8 Zn3 O2 C1 179.7(4) 1_656 .
N1 Zn3 O2 C1 -79.9(5) . .
N8 Zn3 O2 C1 60.6(5) 2_857 .
O4 C8 O3 Zn1 0.0(8) . .
C5 C8 O3 Zn1 -177.4(4) . .
O5 Zn1 O3 C8 164.2(4) . .
N10 Zn1 O3 C8 -60.3(5) . .
N17 Zn1 O3 C8 65.1(4) 2_666 .
O6 C9 O5 Zn1 3.9(10) . .
C10 C9 O5 Zn1 -173.8(4) . .
O3 Zn1 O5 C9 90.1(5) . .
N10 Zn1 O5 C9 -41.3(6) . .
N17 Zn1 O5 C9 -157.5(5) 2_666 .
O8 C16 O7 O7' -114.6(12) . .
C13 C16 O7 O7' 89.2(12) . .
O8 C16 O7' O7 92.4(13) . .
C13 C16 O7' O7 -113.7(11) . .
O7 C16 O8 Zn3 9.0(13) . 1_454
O7' C16 O8 Zn3 -40.9(13) . 1_454
C13 C16 O8 Zn3 166.3(4) . 1_454
O10 C17 O9 Zn2 -2.4(7) . .
C18 C17 O9 Zn2 174.7(4) . .
O11 Zn2 O9 C17 175.0(4) . .
N4 Zn2 O9 C17 -63.8(5) . .
N15 Zn2 O9 C17 74.5(4) 2_767 .
O12 C21 O11 Zn2 8.7(10) . .
C22 C21 O11 Zn2 -169.7(4) . .
O9 Zn2 O11 C21 67.1(5) . .
N4 Zn2 O11 C21 -57.5(6) . .
N15 Zn2 O11 C21 -175.3(5) 2_767 .
