#------------------------------------------------------------------------------
#$Date: 2017-08-30 08:51:00 +0300 (Wed, 30 Aug 2017) $
#$Revision: 200004 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/90/7229015.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_7229015
loop_
_publ_author_name
'Hollingsworth, Thilini S.'
'Hollingsworth, Ryan L.'
'Rosen, Tomer'
'Groysman, Stanislav'
_publ_section_title
;
 Zinc bimetallics supported by a xanthene-bridged dinucleating ligand:
 synthesis, characterization, and lactide polymerization studies
;
_journal_issue                   66
_journal_name_full               'RSC Adv.'
_journal_page_first              41819
_journal_paper_doi               10.1039/C7RA09207E
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'C63 H90 N2 O4.5 Zn2'
_chemical_formula_weight         1078.11
_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
_audit_update_record
;
2017-06-14 deposited with the CCDC.
2017-08-23 downloaded from the CCDC.
;
_cell_angle_alpha                94.571(6)
_cell_angle_beta                 107.133(5)
_cell_angle_gamma                106.102(5)
_cell_formula_units_Z            2
_cell_length_a                   14.0422(16)
_cell_length_b                   14.7543(18)
_cell_length_c                   16.4069(19)
_cell_measurement_reflns_used    4385
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.25
_cell_measurement_theta_min      1.32
_cell_volume                     3072.3(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Bruker Apex2'
_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  0.1040
_diffrn_reflns_av_sigmaI/netI    0.1436
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            54207
_diffrn_reflns_theta_full        23.25
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         1.32
_exptl_absorpt_coefficient_mu    0.826
_exptl_absorpt_correction_T_max  0.9599
_exptl_absorpt_correction_T_min  0.9220
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.165
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             1156
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.815
_refine_diff_density_min         -0.716
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     651
_refine_ls_number_reflns         8419
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.961
_refine_ls_R_factor_all          0.1316
_refine_ls_R_factor_gt           0.0610
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0903P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1532
_refine_ls_wR_factor_ref         0.1705
_reflns_number_gt                4385
_reflns_number_total             8419
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ra09207e2.cif
_cod_data_source_block           sg706_0m_new
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C63 H90 N2 O4.50 Zn2'
_cod_database_code               7229015
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.62770(6) 0.17556(5) 0.28000(5) 0.0391(3) Uani 1 1 d . . .
Zn2 Zn 0.73892(6) 0.49697(5) 0.32269(5) 0.0341(3) Uani 1 1 d . A .
N1 N 0.6441(3) 0.5742(3) 0.2819(3) 0.0226(12) Uani 1 1 d . . .
C51 C 0.8011(4) 0.8064(4) 0.0217(4) 0.0240(15) Uani 1 1 d . . .
O4 O 0.7108(3) 0.2073(3) 0.2072(3) 0.0310(10) Uani 1 1 d . . .
C2 C 0.7048(5) 0.2615(4) 0.1486(4) 0.0284(16) Uani 1 1 d . . .
C3 C 0.7726(4) 0.2705(4) 0.0987(4) 0.0255(15) Uani 1 1 d . . .
C4 C 0.8552(5) 0.2183(4) 0.1159(4) 0.0295(16) Uani 1 1 d . . .
C5 C 0.9231(5) 0.2401(5) 0.0570(5) 0.0466(19) Uani 1 1 d . . .
H5A H 0.9610 0.3089 0.0687 0.070 Uiso 1 1 calc R . .
H5B H 0.8780 0.2208 -0.0038 0.070 Uiso 1 1 calc R . .
H5C H 0.9737 0.2044 0.0686 0.070 Uiso 1 1 calc R . .
C6 C 0.8006(5) 0.1091(4) 0.0970(4) 0.0381(17) Uani 1 1 d . . .
H6A H 0.8536 0.0764 0.1127 0.057 Uiso 1 1 calc R . .
H6B H 0.7600 0.0885 0.0351 0.057 Uiso 1 1 calc R . .
H6C H 0.7533 0.0930 0.1310 0.057 Uiso 1 1 calc R . .
C7 C 0.9285(5) 0.2490(4) 0.2099(4) 0.0412(18) Uani 1 1 d . . .
H7A H 0.9589 0.3190 0.2232 0.062 Uiso 1 1 calc R . .
H7B H 0.9850 0.2202 0.2181 0.062 Uiso 1 1 calc R . .
H7C H 0.8887 0.2276 0.2486 0.062 Uiso 1 1 calc R . .
C8 C 0.7612(4) 0.3251(4) 0.0344(4) 0.0274(15) Uani 1 1 d . . .
H8 H 0.8066 0.3299 0.0009 0.033 Uiso 1 1 calc R . .
C9 C 0.6864(4) 0.3746(4) 0.0149(4) 0.0236(14) Uani 1 1 d . . .
C10 C 0.6234(4) 0.3664(4) 0.0641(4) 0.0232(15) Uani 1 1 d . . .
H10 H 0.5736 0.4003 0.0540 0.028 Uiso 1 1 calc R . .
C11 C 0.6279(4) 0.3101(4) 0.1296(4) 0.0218(14) Uani 1 1 d . . .
C12 C 0.5485(4) 0.2995(4) 0.1687(4) 0.0268(15) Uani 1 1 d . . .
H12 H 0.5014 0.3349 0.1496 0.032 Uiso 1 1 calc R . .
N2 N 0.5311(4) 0.2478(3) 0.2274(3) 0.0239(12) Uani 1 1 d . . .
C13 C 0.4429(4) 0.2446(4) 0.2536(4) 0.0227(15) Uani 1 1 d . . .
C14 C 0.4273(4) 0.3279(4) 0.2849(4) 0.0198(14) Uani 1 1 d . . .
C15 C 0.3423(4) 0.3219(4) 0.3146(4) 0.0215(14) Uani 1 1 d . . .
C16 C 0.2757(5) 0.2309(4) 0.3100(4) 0.0262(15) Uani 1 1 d . . .
H16 H 0.2170 0.2260 0.3289 0.031 Uiso 1 1 calc R . .
C17 C 0.2897(5) 0.1479(4) 0.2800(4) 0.0285(16) Uani 1 1 d . . .
C18 C 0.2152(5) 0.0490(4) 0.2746(4) 0.0335(17) Uani 1 1 d . . .
C19 C 0.3761(5) 0.1576(4) 0.2524(4) 0.0270(15) Uani 1 1 d . . .
H19 H 0.3889 0.1015 0.2320 0.032 Uiso 1 1 calc R . .
C20 C 0.3257(4) 0.4112(4) 0.3538(4) 0.0229(14) Uani 1 1 d . . .
C21 C 0.2158(4) 0.4139(4) 0.3028(4) 0.0318(16) Uani 1 1 d . . .
H21A H 0.2097 0.4145 0.2418 0.048 Uiso 1 1 calc R . .
H21B H 0.2050 0.4717 0.3268 0.048 Uiso 1 1 calc R . .
H21C H 0.1625 0.3571 0.3072 0.048 Uiso 1 1 calc R . .
C22 C 0.3357(4) 0.4073(4) 0.4490(4) 0.0291(15) Uani 1 1 d . . .
H22A H 0.2840 0.3488 0.4526 0.044 Uiso 1 1 calc R . .
H22B H 0.3228 0.4634 0.4742 0.044 Uiso 1 1 calc R . .
H22C H 0.4066 0.4072 0.4811 0.044 Uiso 1 1 calc R . .
C23 C 0.4087(4) 0.5008(4) 0.3503(4) 0.0233(15) Uani 1 1 d . . .
C24 C 0.4078(4) 0.5919(4) 0.3811(3) 0.0214(14) Uani 1 1 d . . .
H24 H 0.3526 0.5959 0.4020 0.026 Uiso 1 1 calc R . .
C25 C 0.4816(5) 0.6747(4) 0.3825(4) 0.0238(15) Uani 1 1 d . . .
C26 C 0.4777(5) 0.7716(4) 0.4189(4) 0.0337(16) Uani 1 1 d . . .
C27 C 0.4824(6) 0.7710(5) 0.5146(4) 0.057(2) Uani 1 1 d . . .
H27A H 0.4860 0.8343 0.5409 0.085 Uiso 1 1 calc R . .
H27B H 0.5449 0.7552 0.5467 0.085 Uiso 1 1 calc R . .
H27C H 0.4193 0.7229 0.5165 0.085 Uiso 1 1 calc R . .
C28 C 0.5605(4) 0.6672(4) 0.3492(4) 0.0252(15) Uani 1 1 d . . .
H28 H 0.6133 0.7238 0.3494 0.030 Uiso 1 1 calc R . .
C61 C 0.5635(4) 0.5800(4) 0.3163(3) 0.0206(14) Uani 1 1 d . . .
O5 O 0.8358(3) 0.5567(3) 0.2672(2) 0.0294(10) Uani 1 1 d . . .
C30 C 0.8289(4) 0.6170(4) 0.2148(4) 0.0231(14) Uani 1 1 d . . .
C31 C 0.7398(4) 0.6518(4) 0.1894(4) 0.0228(14) Uani 1 1 d . . .
C32 C 0.7335(4) 0.7134(4) 0.1282(4) 0.0242(15) Uani 1 1 d . . .
H32 H 0.6735 0.7343 0.1117 0.029 Uiso 1 1 calc R . .
C33 C 0.8089(4) 0.7445(4) 0.0915(4) 0.0208(14) Uani 1 1 d . . .
C34 C 0.8989(4) 0.7134(4) 0.1211(4) 0.0231(14) Uani 1 1 d . . .
H34 H 0.9538 0.7356 0.0977 0.028 Uiso 1 1 calc R . .
C35 C 0.9121(4) 0.6544(4) 0.1802(4) 0.0243(15) Uani 1 1 d . . .
C36 C 1.0112(4) 0.6243(4) 0.2093(4) 0.0238(15) Uani 1 1 d . . .
C37 C 1.0931(4) 0.6735(4) 0.1689(4) 0.0347(17) Uani 1 1 d . . .
H37A H 1.1540 0.6508 0.1874 0.052 Uiso 1 1 calc R . .
H37B H 1.1153 0.7431 0.1877 0.052 Uiso 1 1 calc R . .
H37C H 1.0622 0.6582 0.1056 0.052 Uiso 1 1 calc R . .
C38 C 0.9852(5) 0.5172(4) 0.1839(4) 0.0336(17) Uani 1 1 d . . .
H38A H 0.9345 0.4838 0.2104 0.050 Uiso 1 1 calc R . .
H38B H 1.0494 0.4994 0.2042 0.050 Uiso 1 1 calc R . .
H38C H 0.9549 0.4990 0.1207 0.050 Uiso 1 1 calc R . .
C39 C 1.0648(5) 0.6544(4) 0.3087(4) 0.0358(17) Uani 1 1 d . . .
H39A H 1.0178 0.6201 0.3379 0.054 Uiso 1 1 calc R . .
H39B H 1.0800 0.7236 0.3250 0.054 Uiso 1 1 calc R . .
H39C H 1.1304 0.6386 0.3262 0.054 Uiso 1 1 calc R . .
C40 C 0.9002(4) 0.8932(4) 0.0462(4) 0.0307(16) Uani 1 1 d . . .
H40A H 0.9120 0.9285 0.1034 0.046 Uiso 1 1 calc R . .
H40B H 0.8915 0.9352 0.0031 0.046 Uiso 1 1 calc R . .
H40C H 0.9606 0.8715 0.0480 0.046 Uiso 1 1 calc R . .
C41 C 0.7076(4) 0.8430(4) 0.0084(4) 0.0315(16) Uani 1 1 d . . .
H41A H 0.6426 0.7886 -0.0110 0.047 Uiso 1 1 calc R . .
H41B H 0.7063 0.8843 -0.0356 0.047 Uiso 1 1 calc R . .
H41C H 0.7136 0.8798 0.0631 0.047 Uiso 1 1 calc R . .
C42 C 0.7883(5) 0.7485(4) -0.0649(4) 0.0310(16) Uani 1 1 d . . .
H42A H 0.8486 0.7252 -0.0583 0.046 Uiso 1 1 calc R . .
H42B H 0.7845 0.7894 -0.1091 0.046 Uiso 1 1 calc R . .
H42C H 0.7237 0.6938 -0.0825 0.046 Uiso 1 1 calc R . .
C43 C 0.6596(4) 0.6313(4) 0.2267(4) 0.0249(15) Uani 1 1 d . . .
H43 H 0.6093 0.6638 0.2093 0.030 Uiso 1 1 calc R . .
C44 C 0.7516(6) 0.4028(5) 0.3970(5) 0.050(2) Uani 1 1 d . . .
C45 C 0.4902(4) 0.4966(4) 0.3187(4) 0.0194(14) Uani 1 1 d . . .
O3 O 0.4987(3) 0.4129(3) 0.2859(2) 0.0220(9) Uani 1 1 d . . .
C46 C 0.6790(5) 0.4286(4) -0.0605(4) 0.0298(16) Uani 1 1 d . . .
C47 C 0.7870(4) 0.4974(4) -0.0522(4) 0.0311(16) Uani 1 1 d . . .
H47A H 0.8127 0.5451 0.0010 0.047 Uiso 1 1 calc R . .
H47B H 0.7810 0.5300 -0.1023 0.047 Uiso 1 1 calc R . .
H47C H 0.8364 0.4612 -0.0498 0.047 Uiso 1 1 calc R . .
C48 C 0.6020(4) 0.4871(4) -0.0650(4) 0.0292(16) Uani 1 1 d . . .
H48A H 0.5322 0.4437 -0.0717 0.044 Uiso 1 1 calc R . .
H48B H 0.5979 0.5205 -0.1146 0.044 Uiso 1 1 calc R . .
H48C H 0.6272 0.5341 -0.0115 0.044 Uiso 1 1 calc R . .
C49 C 0.6384(5) 0.3557(4) -0.1454(4) 0.0340(16) Uani 1 1 d . . .
H49A H 0.6862 0.3178 -0.1432 0.051 Uiso 1 1 calc R . .
H49B H 0.6351 0.3898 -0.1945 0.051 Uiso 1 1 calc R . .
H49C H 0.5681 0.3129 -0.1525 0.051 Uiso 1 1 calc R . .
C50 C 0.6421(6) 0.0940(5) 0.3654(4) 0.046(2) Uani 1 1 d . . .
H50A H 0.5810 0.0834 0.3860 0.056 Uiso 1 1 calc R . .
H50B H 0.6389 0.0311 0.3368 0.056 Uiso 1 1 calc R . .
C52 C 0.7386(6) 0.1290(6) 0.4416(5) 0.071(2) Uani 1 1 d . . .
H52A H 0.8001 0.1434 0.4224 0.107 Uiso 1 1 calc R . .
H52B H 0.7409 0.0796 0.4781 0.107 Uiso 1 1 calc R . .
H52C H 0.7389 0.1873 0.4750 0.107 Uiso 1 1 calc R . .
C54 C 0.2747(6) -0.0066(5) 0.3332(5) 0.077(3) Uani 1 1 d . . .
H54A H 0.3002 0.0265 0.3934 0.116 Uiso 1 1 calc R . .
H54B H 0.3345 -0.0107 0.3156 0.116 Uiso 1 1 calc R . .
H54C H 0.2277 -0.0713 0.3282 0.116 Uiso 1 1 calc R . .
C58 C 0.5711(6) 0.8542(5) 0.4230(6) 0.071(3) Uani 1 1 d . . .
H58A H 0.5726 0.8597 0.3642 0.106 Uiso 1 1 calc R . .
H58B H 0.6356 0.8431 0.4573 0.106 Uiso 1 1 calc R . .
H58C H 0.5661 0.9135 0.4501 0.106 Uiso 1 1 calc R . .
C57 C 0.3771(6) 0.7857(5) 0.3705(5) 0.076(3) Uani 1 1 d . . .
H57A H 0.3769 0.7966 0.3123 0.114 Uiso 1 1 calc R . .
H57B H 0.3690 0.8414 0.4013 0.114 Uiso 1 1 calc R . .
H57C H 0.3187 0.7285 0.3659 0.114 Uiso 1 1 calc R . .
C56 C 0.1772(7) -0.0092(6) 0.1822(5) 0.078(3) Uani 1 1 d . . .
H56A H 0.1417 -0.0765 0.1825 0.117 Uiso 1 1 calc R . .
H56B H 0.2376 -0.0048 0.1626 0.117 Uiso 1 1 calc R . .
H56C H 0.1281 0.0166 0.1428 0.117 Uiso 1 1 calc R . .
C55 C 0.1234(7) 0.0518(5) 0.2997(8) 0.119(5) Uani 1 1 d . . .
H55A H 0.1472 0.0888 0.3583 0.179 Uiso 1 1 calc R . .
H55B H 0.0808 -0.0137 0.2985 0.179 Uiso 1 1 calc R . .
H55C H 0.0811 0.0820 0.2589 0.179 Uiso 1 1 calc R . .
O10 O 0.8474(8) 0.8310(7) 0.3905(7) 0.160(3) Uiso 1 1 d . . .
C62 C 0.9074(12) 0.7268(11) 0.4926(11) 0.206(7) Uiso 1 1 d . . .
H62A H 0.8486 0.7253 0.5136 0.309 Uiso 1 1 calc R . .
H62B H 0.9723 0.7421 0.5421 0.309 Uiso 1 1 calc R . .
H62C H 0.8941 0.6640 0.4589 0.309 Uiso 1 1 calc R . .
C60 C 0.9175(13) 0.7946(13) 0.4416(12) 0.211(8) Uiso 1 1 d . . .
H60A H 0.9722 0.8517 0.4811 0.253 Uiso 1 1 calc R . .
H60B H 0.9509 0.7720 0.4022 0.253 Uiso 1 1 calc R . .
C64 C 0.7933(10) 0.9357(9) 0.2942(8) 0.147(5) Uiso 1 1 d . . .
H64A H 0.7368 0.8847 0.2503 0.220 Uiso 1 1 calc R . .
H64B H 0.8264 0.9851 0.2658 0.220 Uiso 1 1 calc R . .
H64C H 0.7642 0.9641 0.3333 0.220 Uiso 1 1 calc R . .
C65 C 0.8653(13) 0.8989(13) 0.3399(12) 0.213(8) Uiso 1 1 d . . .
H65A H 0.9240 0.9542 0.3783 0.256 Uiso 1 1 calc R . .
H65B H 0.8928 0.8723 0.2977 0.256 Uiso 1 1 calc R . .
C68 C 0.5523(9) 0.0827(9) 0.8427(8) 0.032(3) Uiso 0.50 1 d P . .
C70 C 0.8332(11) 0.4262(9) 0.4740(8) 0.057(4) Uani 0.60 1 d P A 1
H70A H 0.8267 0.3716 0.5046 0.086 Uiso 0.60 1 calc PR A 1
H70B H 0.8313 0.4816 0.5098 0.086 Uiso 0.60 1 calc PR A 1
H70C H 0.9000 0.4420 0.4624 0.086 Uiso 0.60 1 calc PR A 1
C80 C 0.8597(14) 0.3840(13) 0.4178(14) 0.056(6) Uani 0.40 1 d P A 2
H80A H 0.9162 0.4453 0.4317 0.084 Uiso 0.40 1 calc PR A 2
H80B H 0.8605 0.3444 0.3673 0.084 Uiso 0.40 1 calc PR A 2
H80C H 0.8703 0.3507 0.4674 0.084 Uiso 0.40 1 calc PR A 2
O11 O 0.5139(12) -0.0081(13) 0.9618(11) 0.115(5) Uiso 0.50 1 d P . 3
C69 C 0.5209(16) 0.0019(15) 0.8792(14) 0.099(6) Uiso 0.50 1 d P B 3
C90 C 0.5154(16) 0.0886(15) 0.9081(14) 0.099(6) Uiso 0.50 1 d P B 4
C91 C 0.5080(13) 0.0512(14) 0.9749(14) 0.070(5) Uiso 0.50 1 d P . 4
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'
N N 0.0061 0.0033 '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'
O O 0.0106 0.0060 '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'
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_3
O4 Zn1 C50 127.3(2) .
O4 Zn1 N2 94.05(18) .
C50 Zn1 N2 138.5(2) .
O5 Zn2 C44 127.4(2) .
O5 Zn2 N1 93.98(17) .
C44 Zn2 N1 138.5(2) .
C43 N1 C61 115.3(4) .
C43 N1 Zn2 120.8(4) .
C61 N1 Zn2 123.6(3) .
C41 C51 C33 111.6(5) .
C41 C51 C40 107.9(5) .
C33 C51 C40 110.5(5) .
C41 C51 C42 107.9(5) .
C33 C51 C42 110.2(4) .
C40 C51 C42 108.6(5) .
C2 O4 Zn1 130.1(4) .
O4 C2 C3 120.0(5) .
O4 C2 C11 121.9(5) .
C3 C2 C11 118.1(6) .
C8 C3 C2 118.6(5) .
C8 C3 C4 121.5(5) .
C2 C3 C4 119.9(5) .
C7 C4 C3 110.6(5) .
C7 C4 C5 107.8(5) .
C3 C4 C5 111.7(5) .
C7 C4 C6 109.6(5) .
C3 C4 C6 109.9(5) .
C5 C4 C6 107.2(5) .
C4 C5 H5A 109.5 .
C4 C5 H5B 109.5 .
H5A C5 H5B 109.5 .
C4 C5 H5C 109.5 .
H5A C5 H5C 109.5 .
H5B C5 H5C 109.5 .
C4 C6 H6A 109.5 .
C4 C6 H6B 109.5 .
H6A C6 H6B 109.5 .
C4 C6 H6C 109.5 .
H6A C6 H6C 109.5 .
H6B C6 H6C 109.5 .
C4 C7 H7A 109.5 .
C4 C7 H7B 109.5 .
H7A C7 H7B 109.5 .
C4 C7 H7C 109.5 .
H7A C7 H7C 109.5 .
H7B C7 H7C 109.5 .
C3 C8 C9 124.4(5) .
C3 C8 H8 117.8 .
C9 C8 H8 117.8 .
C10 C9 C8 116.1(5) .
C10 C9 C46 124.8(5) .
C8 C9 C46 119.0(5) .
C9 C10 C11 123.1(5) .
C9 C10 H10 118.5 .
C11 C10 H10 118.5 .
C10 C11 C12 116.4(5) .
C10 C11 C2 119.6(5) .
C12 C11 C2 123.8(5) .
N2 C12 C11 129.0(5) .
N2 C12 H12 115.5 .
C11 C12 H12 115.5 .
C12 N2 C13 118.9(5) .
C12 N2 Zn1 120.8(4) .
C13 N2 Zn1 120.3(4) .
C19 C13 C14 120.1(5) .
C19 C13 N2 118.3(5) .
C14 C13 N2 121.5(5) .
O3 C14 C13 116.9(5) .
O3 C14 C15 123.2(5) .
C13 C14 C15 119.9(5) .
C16 C15 C14 117.3(5) .
C16 C15 C20 121.1(5) .
C14 C15 C20 121.5(5) .
C17 C16 C15 123.9(6) .
C17 C16 H16 118.0 .
C15 C16 H16 118.0 .
C16 C17 C19 116.6(5) .
C16 C17 C18 123.2(6) .
C19 C17 C18 120.2(5) .
C55 C18 C17 113.2(5) .
C55 C18 C54 109.0(7) .
C17 C18 C54 109.2(5) .
C55 C18 C56 109.3(7) .
C17 C18 C56 110.4(5) .
C54 C18 C56 105.5(6) .
C13 C19 C17 122.2(5) .
C13 C19 H19 118.9 .
C17 C19 H19 118.9 .
C23 C20 C15 110.3(5) .
C23 C20 C22 108.4(5) .
C15 C20 C22 109.0(5) .
C23 C20 C21 109.9(5) .
C15 C20 C21 108.9(5) .
C22 C20 C21 110.3(5) .
C20 C21 H21A 109.5 .
C20 C21 H21B 109.5 .
H21A C21 H21B 109.5 .
C20 C21 H21C 109.5 .
H21A C21 H21C 109.5 .
H21B C21 H21C 109.5 .
C20 C22 H22A 109.5 .
C20 C22 H22B 109.5 .
H22A C22 H22B 109.5 .
C20 C22 H22C 109.5 .
H22A C22 H22C 109.5 .
H22B C22 H22C 109.5 .
C24 C23 C45 117.2(5) .
C24 C23 C20 120.6(5) .
C45 C23 C20 122.2(5) .
C25 C24 C23 123.6(5) .
C25 C24 H24 118.2 .
C23 C24 H24 118.2 .
C24 C25 C28 117.2(5) .
C24 C25 C26 121.1(5) .
C28 C25 C26 121.7(5) .
C57 C26 C58 112.2(7) .
C57 C26 C25 110.2(5) .
C58 C26 C25 113.5(5) .
C57 C26 C27 107.9(6) .
C58 C26 C27 104.9(6) .
C25 C26 C27 107.9(5) .
C26 C27 H27A 109.5 .
C26 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C26 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
C61 C28 C25 121.5(5) .
C61 C28 H28 119.2 .
C25 C28 H28 119.2 .
C28 C61 C45 120.3(5) .
C28 C61 N1 120.5(5) .
C45 C61 N1 119.2(5) .
C30 O5 Zn2 129.5(3) .
O5 C30 C31 122.4(5) .
O5 C30 C35 120.7(5) .
C31 C30 C35 116.9(5) .
C43 C31 C32 117.0(5) .
C43 C31 C30 122.9(5) .
C32 C31 C30 120.0(5) .
C33 C32 C31 123.3(5) .
C33 C32 H32 118.3 .
C31 C32 H32 118.3 .
C32 C33 C34 115.8(5) .
C32 C33 C51 124.3(5) .
C34 C33 C51 119.9(5) .
C35 C34 C33 125.0(5) .
C35 C34 H34 117.5 .
C33 C34 H34 117.5 .
C34 C35 C30 118.8(5) .
C34 C35 C36 122.2(5) .
C30 C35 C36 119.0(5) .
C38 C36 C37 107.7(5) .
C38 C36 C35 110.9(5) .
C37 C36 C35 112.0(5) .
C38 C36 C39 109.8(5) .
C37 C36 C39 106.3(5) .
C35 C36 C39 110.1(5) .
C36 C37 H37A 109.5 .
C36 C37 H37B 109.5 .
H37A C37 H37B 109.5 .
C36 C37 H37C 109.5 .
H37A C37 H37C 109.5 .
H37B C37 H37C 109.5 .
C36 C38 H38A 109.5 .
C36 C38 H38B 109.5 .
H38A C38 H38B 109.5 .
C36 C38 H38C 109.5 .
H38A C38 H38C 109.5 .
H38B C38 H38C 109.5 .
C36 C39 H39A 109.5 .
C36 C39 H39B 109.5 .
H39A C39 H39B 109.5 .
C36 C39 H39C 109.5 .
H39A C39 H39C 109.5 .
H39B C39 H39C 109.5 .
C51 C40 H40A 109.5 .
C51 C40 H40B 109.5 .
H40A C40 H40B 109.5 .
C51 C40 H40C 109.5 .
H40A C40 H40C 109.5 .
H40B C40 H40C 109.5 .
C51 C41 H41A 109.5 .
C51 C41 H41B 109.5 .
H41A C41 H41B 109.5 .
C51 C41 H41C 109.5 .
H41A C41 H41C 109.5 .
H41B C41 H41C 109.5 .
C51 C42 H42A 109.5 .
C51 C42 H42B 109.5 .
H42A C42 H42B 109.5 .
C51 C42 H42C 109.5 .
H42A C42 H42C 109.5 .
H42B C42 H42C 109.5 .
N1 C43 C31 129.7(5) .
N1 C43 H43 115.2 .
C31 C43 H43 115.2 .
C70 C44 C80 50.8(8) .
C70 C44 Zn2 119.8(7) .
C80 C44 Zn2 112.8(8) .
O3 C45 C61 117.1(5) .
O3 C45 C23 122.8(5) .
C61 C45 C23 120.1(5) .
C45 O3 C14 119.9(4) .
C9 C46 C47 110.7(5) .
C9 C46 C49 108.8(5) .
C47 C46 C49 108.9(5) .
C9 C46 C48 111.1(5) .
C47 C46 C48 108.6(5) .
C49 C46 C48 108.7(5) .
C46 C47 H47A 109.5 .
C46 C47 H47B 109.5 .
H47A C47 H47B 109.5 .
C46 C47 H47C 109.5 .
H47A C47 H47C 109.5 .
H47B C47 H47C 109.5 .
C46 C48 H48A 109.5 .
C46 C48 H48B 109.5 .
H48A C48 H48B 109.5 .
C46 C48 H48C 109.5 .
H48A C48 H48C 109.5 .
H48B C48 H48C 109.5 .
C46 C49 H49A 109.5 .
C46 C49 H49B 109.5 .
H49A C49 H49B 109.5 .
C46 C49 H49C 109.5 .
H49A C49 H49C 109.5 .
H49B C49 H49C 109.5 .
C52 C50 Zn1 116.3(5) .
C52 C50 H50A 108.2 .
Zn1 C50 H50A 108.2 .
C52 C50 H50B 108.2 .
Zn1 C50 H50B 108.2 .
H50A C50 H50B 107.4 .
C50 C52 H52A 109.5 .
C50 C52 H52B 109.5 .
H52A C52 H52B 109.5 .
C50 C52 H52C 109.5 .
H52A C52 H52C 109.5 .
H52B C52 H52C 109.5 .
C18 C54 H54A 109.5 .
C18 C54 H54B 109.5 .
H54A C54 H54B 109.5 .
C18 C54 H54C 109.5 .
H54A C54 H54C 109.5 .
H54B C54 H54C 109.5 .
C26 C58 H58A 109.5 .
C26 C58 H58B 109.5 .
H58A C58 H58B 109.5 .
C26 C58 H58C 109.5 .
H58A C58 H58C 109.5 .
H58B C58 H58C 109.5 .
C26 C57 H57A 109.5 .
C26 C57 H57B 109.5 .
H57A C57 H57B 109.5 .
C26 C57 H57C 109.5 .
H57A C57 H57C 109.5 .
H57B C57 H57C 109.5 .
C18 C56 H56A 109.5 .
C18 C56 H56B 109.5 .
H56A C56 H56B 109.5 .
C18 C56 H56C 109.5 .
H56A C56 H56C 109.5 .
H56B C56 H56C 109.5 .
C18 C55 H55A 109.5 .
C18 C55 H55B 109.5 .
H55A C55 H55B 109.5 .
C18 C55 H55C 109.5 .
H55A C55 H55C 109.5 .
H55B C55 H55C 109.5 .
C60 O10 C65 128.1(14) .
C60 C62 H62A 109.5 .
C60 C62 H62B 109.5 .
H62A C62 H62B 109.5 .
C60 C62 H62C 109.5 .
H62A C62 H62C 109.5 .
H62B C62 H62C 109.5 .
O10 C60 C62 132.6(17) .
O10 C60 H60A 104.1 .
C62 C60 H60A 104.1 .
O10 C60 H60B 104.1 .
C62 C60 H60B 104.1 .
H60A C60 H60B 105.5 .
C65 C64 H64A 109.5 .
C65 C64 H64B 109.5 .
H64A C64 H64B 109.5 .
C65 C64 H64C 109.5 .
H64A C64 H64C 109.5 .
H64B C64 H64C 109.5 .
C64 C65 O10 125.2(16) .
C64 C65 H65A 106.0 .
O10 C65 H65A 106.0 .
C64 C65 H65B 106.0 .
O10 C65 H65B 106.0 .
H65A C65 H65B 106.3 .
C90 C68 C69 59.7(12) .
C44 C70 H70A 109.5 .
C44 C70 H70B 109.5 .
C44 C70 H70C 109.5 .
C44 C80 H80A 109.5 .
C44 C80 H80B 109.5 .
H80A C80 H80B 109.5 .
C44 C80 H80C 109.5 .
H80A C80 H80C 109.5 .
H80B C80 H80C 109.5 .
C69 O11 O11 158(3) 2_657
C68 C69 O11 131.9(19) .
C91 C90 C68 142(2) .
C90 C91 C91 149(3) 2_657
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O4 1.900(4) .
Zn1 C50 1.920(6) .
Zn1 N2 1.995(5) .
Zn2 O5 1.910(4) .
Zn2 C44 1.931(6) .
Zn2 N1 1.989(4) .
N1 C43 1.309(7) .
N1 C61 1.425(7) .
C51 C41 1.519(7) .
C51 C33 1.519(7) .
C51 C40 1.529(8) .
C51 C42 1.532(7) .
O4 C2 1.298(7) .
C2 C3 1.415(8) .
C2 C11 1.429(8) .
C3 C8 1.377(8) .
C3 C4 1.534(8) .
C4 C7 1.530(8) .
C4 C5 1.538(8) .
C4 C6 1.541(8) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 C9 1.416(7) .
C8 H8 0.9500 .
C9 C10 1.352(7) .
C9 C46 1.518(8) .
C10 C11 1.408(7) .
C10 H10 0.9500 .
C11 C12 1.421(7) .
C12 N2 1.312(7) .
C12 H12 0.9500 .
N2 C13 1.416(7) .
C13 C19 1.359(8) .
C13 C14 1.392(7) .
C14 O3 1.365(6) .
C14 C15 1.400(7) .
C15 C16 1.388(8) .
C15 C20 1.526(8) .
C16 C17 1.370(7) .
C16 H16 0.9500 .
C17 C19 1.392(8) .
C17 C18 1.520(8) .
C18 C55 1.474(9) .
C18 C54 1.526(9) .
C18 C56 1.543(9) .
C19 H19 0.9500 .
C20 C23 1.519(8) .
C20 C22 1.534(8) .
C20 C21 1.538(7) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.402(7) .
C23 C45 1.402(7) .
C24 C25 1.359(8) .
C24 H24 0.9500 .
C25 C28 1.397(7) .
C25 C26 1.527(8) .
C26 C57 1.483(9) .
C26 C58 1.502(9) .
C26 C27 1.552(9) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C61 1.371(7) .
C28 H28 0.9500 .
C61 C45 1.379(7) .
O5 C30 1.289(6) .
C30 C31 1.443(8) .
C30 C35 1.441(8) .
C31 C43 1.408(7) .
C31 C32 1.407(7) .
C32 C33 1.357(7) .
C32 H32 0.9500 .
C33 C34 1.428(7) .
C34 C35 1.361(8) .
C34 H34 0.9500 .
C35 C36 1.532(8) .
C36 C38 1.513(8) .
C36 C37 1.534(8) .
C36 C39 1.550(8) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 H43 0.9500 .
C44 C70 1.373(13) .
C44 C80 1.563(17) .
C45 O3 1.358(6) .
C46 C47 1.534(8) .
C46 C49 1.541(8) .
C46 C48 1.549(7) .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C50 C52 1.475(9) .
C50 H50A 0.9900 .
C50 H50B 0.9900 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
O10 C60 1.355(17) .
O10 C65 1.368(18) .
C62 C60 1.359(19) .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C60 H60A 0.9900 .
C60 H60B 0.9900 .
C64 C65 1.342(18) .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C68 C90 1.33(2) .
C68 C69 1.40(2) .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
O11 C69 1.40(2) .
O11 O11 1.44(3) 2_657
C90 C91 1.28(3) .
C91 C91 1.77(4) 2_657
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
O5 Zn2 N1 C43 7.1(4) . .
C44 Zn2 N1 C43 -177.8(5) . .
O5 Zn2 N1 C61 -165.9(4) . .
C44 Zn2 N1 C61 9.3(6) . .
C50 Zn1 O4 C2 179.8(5) . .
N2 Zn1 O4 C2 3.0(5) . .
Zn1 O4 C2 C3 -176.6(4) . .
Zn1 O4 C2 C11 0.7(8) . .
O4 C2 C3 C8 177.2(5) . .
C11 C2 C3 C8 -0.2(8) . .
O4 C2 C3 C4 -1.7(8) . .
C11 C2 C3 C4 -179.1(5) . .
C8 C3 C4 C7 123.1(6) . .
C2 C3 C4 C7 -58.1(7) . .
C8 C3 C4 C5 3.1(8) . .
C2 C3 C4 C5 -178.1(5) . .
C8 C3 C4 C6 -115.8(6) . .
C2 C3 C4 C6 63.0(7) . .
C2 C3 C8 C9 0.8(9) . .
C4 C3 C8 C9 179.7(5) . .
C3 C8 C9 C10 0.2(9) . .
C3 C8 C9 C46 -177.2(5) . .
C8 C9 C10 C11 -1.9(8) . .
C46 C9 C10 C11 175.3(5) . .
C9 C10 C11 C12 -172.7(5) . .
C9 C10 C11 C2 2.5(9) . .
O4 C2 C11 C10 -178.7(5) . .
C3 C2 C11 C10 -1.4(8) . .
O4 C2 C11 C12 -3.8(9) . .
C3 C2 C11 C12 173.5(5) . .
C10 C11 C12 N2 176.2(5) . .
C2 C11 C12 N2 1.2(10) . .
C11 C12 N2 C13 -176.8(5) . .
C11 C12 N2 Zn1 3.9(8) . .
O4 Zn1 N2 C12 -5.0(4) . .
C50 Zn1 N2 C12 178.8(5) . .
O4 Zn1 N2 C13 175.7(4) . .
C50 Zn1 N2 C13 -0.5(6) . .
C12 N2 C13 C19 128.6(6) . .
Zn1 N2 C13 C19 -52.0(6) . .
C12 N2 C13 C14 -55.1(7) . .
Zn1 N2 C13 C14 124.2(5) . .
C19 C13 C14 O3 178.7(5) . .
N2 C13 C14 O3 2.5(8) . .
C19 C13 C14 C15 -0.4(8) . .
N2 C13 C14 C15 -176.6(5) . .
O3 C14 C15 C16 -179.9(5) . .
C13 C14 C15 C16 -0.9(8) . .
O3 C14 C15 C20 -2.3(8) . .
C13 C14 C15 C20 176.7(5) . .
C14 C15 C16 C17 1.3(9) . .
C20 C15 C16 C17 -176.3(5) . .
C15 C16 C17 C19 -0.4(9) . .
C15 C16 C17 C18 -179.3(6) . .
C16 C17 C18 C55 3.6(10) . .
C19 C17 C18 C55 -175.3(7) . .
C16 C17 C18 C54 -118.0(7) . .
C19 C17 C18 C54 63.1(8) . .
C16 C17 C18 C56 126.4(7) . .
C19 C17 C18 C56 -52.4(8) . .
C14 C13 C19 C17 1.4(9) . .
N2 C13 C19 C17 177.7(5) . .
C16 C17 C19 C13 -1.0(9) . .
C18 C17 C19 C13 178.0(6) . .
C16 C15 C20 C23 -179.7(5) . .
C14 C15 C20 C23 2.8(7) . .
C16 C15 C20 C22 61.4(7) . .
C14 C15 C20 C22 -116.1(6) . .
C16 C15 C20 C21 -58.9(7) . .
C14 C15 C20 C21 123.6(5) . .
C15 C20 C23 C24 178.6(5) . .
C22 C20 C23 C24 -62.2(7) . .
C21 C20 C23 C24 58.4(7) . .
C15 C20 C23 C45 -2.9(7) . .
C22 C20 C23 C45 116.3(6) . .
C21 C20 C23 C45 -123.1(5) . .
C45 C23 C24 C25 -0.8(8) . .
C20 C23 C24 C25 177.8(5) . .
C23 C24 C25 C28 1.6(8) . .
C23 C24 C25 C26 -178.5(5) . .
C24 C25 C26 C57 -58.8(8) . .
C28 C25 C26 C57 121.1(7) . .
C24 C25 C26 C58 174.4(6) . .
C28 C25 C26 C58 -5.7(9) . .
C24 C25 C26 C27 58.7(7) . .
C28 C25 C26 C27 -121.4(6) . .
C24 C25 C28 C61 0.1(8) . .
C26 C25 C28 C61 -179.8(6) . .
C25 C28 C61 C45 -2.7(8) . .
C25 C28 C61 N1 179.3(5) . .
C43 N1 C61 C28 -48.9(7) . .
Zn2 N1 C61 C28 124.3(5) . .
C43 N1 C61 C45 133.1(5) . .
Zn2 N1 C61 C45 -53.6(6) . .
C44 Zn2 O5 C30 177.2(5) . .
N1 Zn2 O5 C30 -6.9(5) . .
Zn2 O5 C30 C31 1.0(8) . .
Zn2 O5 C30 C35 179.6(4) . .
O5 C30 C31 C43 7.2(9) . .
C35 C30 C31 C43 -171.4(5) . .
O5 C30 C31 C32 -176.5(5) . .
C35 C30 C31 C32 4.9(8) . .
C43 C31 C32 C33 175.4(5) . .
C30 C31 C32 C33 -1.2(8) . .
C31 C32 C33 C34 -2.2(8) . .
C31 C32 C33 C51 176.4(5) . .
C41 C51 C33 C32 9.5(8) . .
C40 C51 C33 C32 129.6(6) . .
C42 C51 C33 C32 -110.4(6) . .
C41 C51 C33 C34 -172.1(5) . .
C40 C51 C33 C34 -52.0(7) . .
C42 C51 C33 C34 68.0(6) . .
C32 C33 C34 C35 1.8(8) . .
C51 C33 C34 C35 -176.8(5) . .
C33 C34 C35 C30 2.0(9) . .
C33 C34 C35 C36 -179.7(5) . .
O5 C30 C35 C34 176.1(5) . .
C31 C30 C35 C34 -5.2(8) . .
O5 C30 C35 C36 -2.2(8) . .
C31 C30 C35 C36 176.5(5) . .
C34 C35 C36 C38 -116.5(6) . .
C30 C35 C36 C38 61.8(7) . .
C34 C35 C36 C37 3.8(8) . .
C30 C35 C36 C37 -177.9(5) . .
C34 C35 C36 C39 121.8(6) . .
C30 C35 C36 C39 -59.9(7) . .
C61 N1 C43 C31 171.5(6) . .
Zn2 N1 C43 C31 -2.0(8) . .
C32 C31 C43 N1 177.0(5) . .
C30 C31 C43 N1 -6.6(9) . .
O5 Zn2 C44 C70 62.6(9) . .
N1 Zn2 C44 C70 -111.4(8) . .
O5 Zn2 C44 C80 5.9(11) . .
N1 Zn2 C44 C80 -168.0(9) . .
C28 C61 C45 O3 -179.2(5) . .
N1 C61 C45 O3 -1.2(8) . .
C28 C61 C45 C23 3.6(8) . .
N1 C61 C45 C23 -178.4(5) . .
C24 C23 C45 O3 -178.9(5) . .
C20 C23 C45 O3 2.5(8) . .
C24 C23 C45 C61 -1.8(8) . .
C20 C23 C45 C61 179.6(5) . .
C61 C45 O3 C14 -178.8(5) . .
C23 C45 O3 C14 -1.6(7) . .
C13 C14 O3 C45 -177.5(5) . .
C15 C14 O3 C45 1.5(7) . .
C10 C9 C46 C47 130.1(6) . .
C8 C9 C46 C47 -52.8(7) . .
C10 C9 C46 C49 -110.3(6) . .
C8 C9 C46 C49 66.8(7) . .
C10 C9 C46 C48 9.3(8) . .
C8 C9 C46 C48 -173.6(5) . .
O4 Zn1 C50 C52 66.7(6) . .
N2 Zn1 C50 C52 -118.1(5) . .
C65 O10 C60 C62 -178.8(16) . .
C60 O10 C65 C64 -176.2(15) . .
C90 C68 C69 O11 -25(2) . .
O11 O11 C69 C68 49(7) 2_657 .
C69 C68 C90 C91 29(3) . .
C68 C90 C91 C91 -35(6) . 2_657
