#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:57:47 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179086 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/48/4304808.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_4304808
loop_
_publ_author_name
'Lin Xue'
'Huan-Huan Wang'
'Xiao-Jun Wang'
'Hua Jiang'
_publ_section_title
;
Modulating Affinities of Di-2-picolylamine (DPA)-Substituted Quinoline
Sensors for Zinc Ions by Varying Pendant Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4310
_journal_page_last               4318
_journal_paper_doi               10.1021/ic702393z
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C29 H26 Cl2 N4 O9 Zn'
_chemical_formula_weight         710.81
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 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                90.00
_cell_angle_beta                 103.98(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   12.026(2)
_cell_length_b                   41.317(8)
_cell_length_c                   18.332(4)
_cell_measurement_reflns_used    13677
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      25.0264
_cell_measurement_theta_min      2.5088
_cell_volume                     8839(3)
_computing_cell_refinement       'RAXIS-RAPID Auto(Rigaku, 2004)'
_computing_data_collection       'RAXIS-RAPID Auto(Rigaku, 2004)'
_computing_data_reduction        'CrystalStructure(Rigaku/MSC, 2004)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'rigaku r-axis rapid IP area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_av_sigmaI/netI    0.0845
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            67060
_diffrn_reflns_theta_full        26.13
_diffrn_reflns_theta_max         26.13
_diffrn_reflns_theta_min         1.51
_diffrn_source                   'rotating anode'
_exptl_absorpt_coefficient_mu    1.077
_exptl_absorpt_correction_T_max  0.8816
_exptl_absorpt_correction_T_min  0.7820
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4368
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.127
_refine_diff_density_min         -0.779
_refine_diff_density_rms         0.090
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.426(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2431
_refine_ls_number_reflns         33092
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0840
_refine_ls_R_factor_gt           0.0666
_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)+(0.0544P)²+14.0288P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1433
_refine_ls_wR_factor_ref         0.1543
_reflns_number_gt                26822
_reflns_number_total             33092
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic702393z-file002_2.cif
_cod_data_source_block           ZnHQ1-a
_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_sg_symbol_H-M      'P c'
_cod_database_code               4304808
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, 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
C1 C 0.6662(6) 0.51387(18) 0.9401(4) 0.027 Uani 1 1 d . . .
C2 C 0.5653(6) 0.50042(19) 0.8973(5) 0.036 Uani 1 1 d . . .
H2 H 0.5684 0.4868 0.8561 0.043 Uiso 1 1 calc R . .
C3 C 0.4569(7) 0.5066(2) 0.9140(5) 0.044 Uani 1 1 d . . .
H3 H 0.3887 0.4979 0.8829 0.053 Uiso 1 1 calc R . .
C4 C 0.4520(6) 0.52467(19) 0.9733(4) 0.036 Uani 1 1 d . . .
H4 H 0.3802 0.5284 0.9849 0.043 Uiso 1 1 calc R . .
C5 C 0.5528(6) 0.53830(18) 1.0194(4) 0.031 Uani 1 1 d . . .
C6 C 0.6613(6) 0.53292(17) 1.0034(4) 0.028 Uani 1 1 d . . .
C7 C 0.5534(6) 0.55700(18) 1.0853(4) 0.034 Uani 1 1 d . . .
H7 H 0.4837 0.5610 1.0995 0.041 Uiso 1 1 calc R . .
C8 C 0.6550(7) 0.56925(19) 1.1281(5) 0.038 Uani 1 1 d . . .
H8 H 0.6561 0.5817 1.1718 0.046 Uiso 1 1 calc R . .
C9 C 0.7549(6) 0.56312(18) 1.1063(4) 0.029 Uani 1 1 d . . .
C10 C 0.8683(6) 0.57834(18) 1.1513(5) 0.035 Uani 1 1 d . . .
H10A H 0.8732 0.6009 1.1341 0.042 Uiso 1 1 calc R . .
H10B H 0.8677 0.5790 1.2052 0.042 Uiso 1 1 calc R . .
C11 C 1.0651(7) 0.5825(2) 1.1370(5) 0.045 Uani 1 1 d . . .
H11A H 1.0823 0.5974 1.1805 0.054 Uiso 1 1 calc R . .
H11B H 1.1348 0.5696 1.1376 0.054 Uiso 1 1 calc R . .
C12 C 1.0319(6) 0.60125(18) 1.0661(4) 0.031 Uani 1 1 d . . .
C13 C 1.0617(6) 0.6334(2) 1.0596(5) 0.041 Uani 1 1 d . . .
H13 H 1.1065 0.6442 1.1024 0.050 Uiso 1 1 calc R . .
C14 C 1.0292(7) 0.64937(19) 0.9951(5) 0.040 Uani 1 1 d . . .
H14 H 1.0496 0.6714 0.9920 0.048 Uiso 1 1 calc R . .
C15 C 0.9649(8) 0.6333(2) 0.9322(6) 0.054 Uani 1 1 d . . .
H15 H 0.9423 0.6444 0.8854 0.065 Uiso 1 1 calc R . .
C16 C 0.9339(7) 0.60144(19) 0.9377(5) 0.038 Uani 1 1 d . . .
H16 H 0.8891 0.5907 0.8947 0.045 Uiso 1 1 calc R . .
C17 C 1.0011(8) 0.5339(2) 1.1975(5) 0.045 Uani 1 1 d . . .
H17A H 0.9368 0.5301 1.2214 0.054 Uiso 1 1 calc R . .
H17B H 1.0682 0.5408 1.2374 0.054 Uiso 1 1 calc R . .
C18 C 1.0293(6) 0.50297(19) 1.1643(4) 0.028 Uani 1 1 d . . .
C19 C 1.0830(6) 0.4784(2) 1.2104(4) 0.029 Uani 1 1 d . . .
H19 H 1.1096 0.4824 1.2628 0.035 Uiso 1 1 calc R . .
C20 C 1.0991(7) 0.4487(2) 1.1833(5) 0.034 Uani 1 1 d . . .
H20 H 1.1335 0.4316 1.2156 0.041 Uiso 1 1 calc R . .
C21 C 1.0624(6) 0.4443(2) 1.1044(5) 0.035 Uani 1 1 d . . .
H21 H 1.0741 0.4242 1.0819 0.042 Uiso 1 1 calc R . .
C22 C 1.0100(6) 0.46939(17) 1.0618(5) 0.025 Uani 1 1 d . . .
H22 H 0.9833 0.4663 1.0091 0.030 Uiso 1 1 calc R . .
C23 C 0.7852(6) 0.49014(17) 0.8633(4) 0.028 Uani 1 1 d . . .
H23A H 0.7307 0.4718 0.8558 0.033 Uiso 1 1 calc R . .
H23B H 0.8637 0.4811 0.8729 0.033 Uiso 1 1 calc R . .
C24 C 0.7625(6) 0.51026(17) 0.7929(4) 0.028 Uani 1 1 d . . .
C25 C 0.6752(7) 0.5014(2) 0.7302(4) 0.036 Uani 1 1 d . . .
H25 H 0.6281 0.4833 0.7338 0.043 Uiso 1 1 calc R . .
C26 C 0.6560(7) 0.5186(2) 0.6629(4) 0.037 Uani 1 1 d . . .
H26 H 0.5966 0.5123 0.6210 0.044 Uiso 1 1 calc R . .
C27 C 0.7246(6) 0.54470(18) 0.6581(5) 0.033 Uani 1 1 d . . .
H27 H 0.7117 0.5562 0.6119 0.039 Uiso 1 1 calc R . .
C28 C 0.8096(6) 0.55476(18) 0.7162(4) 0.035 Uani 1 1 d . . .
H28 H 0.8544 0.5732 0.7116 0.042 Uiso 1 1 calc R . .
C29 C 0.8297(6) 0.53715(18) 0.7836(4) 0.034 Uani 1 1 d . . .
H29 H 0.8908 0.5436 0.8243 0.041 Uiso 1 1 calc R . .
C30 C 0.7157(6) 0.65285(17) 0.6690(4) 0.023 Uani 1 1 d . . .
C31 C 0.8169(6) 0.66436(19) 0.7144(4) 0.029 Uani 1 1 d . . .
H31 H 0.8168 0.6774 0.7570 0.035 Uiso 1 1 calc R . .
C32 C 0.9187(6) 0.65625(17) 0.6958(4) 0.032 Uani 1 1 d . . .
H32 H 0.9887 0.6638 0.7270 0.038 Uiso 1 1 calc R . .
C33 C 0.9227(6) 0.63782(18) 0.6345(4) 0.029 Uani 1 1 d . . .
H33 H 0.9943 0.6334 0.6234 0.035 Uiso 1 1 calc R . .
C34 C 0.8219(6) 0.62553(17) 0.5880(4) 0.024 Uani 1 1 d . . .
C35 C 0.7155(6) 0.63299(17) 0.6063(4) 0.021 Uani 1 1 d . . .
C36 C 0.8167(7) 0.60668(18) 0.5239(4) 0.031 Uani 1 1 d . . .
H36 H 0.8855 0.6013 0.5098 0.037 Uiso 1 1 calc R . .
C37 C 0.7152(6) 0.59601(18) 0.4815(4) 0.025 Uani 1 1 d . . .
H37 H 0.7133 0.5840 0.4371 0.030 Uiso 1 1 calc R . .
C38 C 0.6107(6) 0.60264(19) 0.5029(4) 0.027 Uani 1 1 d . . .
C39 C 0.5012(6) 0.5880(2) 0.4631(5) 0.033 Uani 1 1 d . . .
H39A H 0.4976 0.5655 0.4808 0.039 Uiso 1 1 calc R . .
H39B H 0.4975 0.5873 0.4086 0.039 Uiso 1 1 calc R . .
C40 C 0.3636(8) 0.63174(19) 0.4186(4) 0.035 Uani 1 1 d . . .
H40A H 0.2957 0.6240 0.3806 0.042 Uiso 1 1 calc R . .
H40B H 0.4256 0.6359 0.3928 0.042 Uiso 1 1 calc R . .
C41 C 0.3336(6) 0.66323(19) 0.4526(4) 0.024 Uani 1 1 d . . .
C42 C 0.2725(6) 0.6870(2) 0.4079(5) 0.035 Uani 1 1 d . . .
H42 H 0.2395 0.6832 0.3561 0.042 Uiso 1 1 calc R . .
C43 C 0.2601(7) 0.7169(2) 0.4404(5) 0.036 Uani 1 1 d . . .
H43 H 0.2205 0.7340 0.4102 0.043 Uiso 1 1 calc R . .
C44 C 0.3038(6) 0.72170(19) 0.5143(4) 0.025 Uani 1 1 d . . .
H44 H 0.2961 0.7422 0.5363 0.030 Uiso 1 1 calc R . .
C45 C 0.3596(6) 0.69676(18) 0.5579(4) 0.024 Uani 1 1 d . . .
H45 H 0.3869 0.7001 0.6105 0.029 Uiso 1 1 calc R . .
C46 C 0.3064(6) 0.58449(19) 0.4808(4) 0.028 Uani 1 1 d . . .
H46A H 0.2914 0.5691 0.4382 0.034 Uiso 1 1 calc R . .
H46B H 0.2356 0.5970 0.4788 0.034 Uiso 1 1 calc R . .
C47 C 0.3412(6) 0.56609(19) 0.5550(5) 0.032 Uani 1 1 d . . .
C48 C 0.3040(6) 0.53457(18) 0.5617(5) 0.039 Uani 1 1 d . . .
H48 H 0.2590 0.5234 0.5195 0.047 Uiso 1 1 calc R . .
C49 C 0.3355(6) 0.5197(2) 0.6334(5) 0.039 Uani 1 1 d . . .
H49 H 0.3131 0.4980 0.6399 0.047 Uiso 1 1 calc R . .
C50 C 0.3979(6) 0.53664(18) 0.6927(4) 0.030 Uani 1 1 d . . .
H50 H 0.4198 0.5273 0.7414 0.036 Uiso 1 1 calc R . .
C51 C 0.4284(6) 0.5680(2) 0.6800(4) 0.027 Uani 1 1 d . . .
H51 H 0.4704 0.5800 0.7218 0.032 Uiso 1 1 calc R . .
C52 C 0.5978(6) 0.67562(18) 0.7453(4) 0.025 Uani 1 1 d . . .
H52A H 0.5223 0.6866 0.7351 0.030 Uiso 1 1 calc R . .
H52B H 0.6579 0.6925 0.7569 0.030 Uiso 1 1 calc R . .
C53 C 0.6096(5) 0.65361(18) 0.8129(4) 0.025 Uani 1 1 d . . .
C54 C 0.6374(5) 0.62118(16) 0.8104(4) 0.023 Uani 1 1 d . . .
H54 H 0.6539 0.6124 0.7663 0.027 Uiso 1 1 calc R . .
C55 C 0.6411(6) 0.60150(19) 0.8722(4) 0.033 Uani 1 1 d . . .
H55 H 0.6604 0.5793 0.8701 0.040 Uiso 1 1 calc R . .
C56 C 0.6171(7) 0.6139(2) 0.9372(5) 0.042 Uani 1 1 d . . .
H56 H 0.6201 0.6005 0.9798 0.050 Uiso 1 1 calc R . .
C57 C 0.5885(7) 0.64617(19) 0.9378(4) 0.038 Uani 1 1 d . . .
H57 H 0.5718 0.6550 0.9818 0.046 Uiso 1 1 calc R . .
C58 C 0.5834(6) 0.6664(2) 0.8756(4) 0.035 Uani 1 1 d . . .
H58 H 0.5622 0.6885 0.8769 0.042 Uiso 1 1 calc R . .
C59 C 0.4490(6) 0.75084(18) -0.0228(4) 0.030 Uani 1 1 d . . .
H59A H 0.4413 0.7532 -0.0775 0.035 Uiso 1 1 calc R . .
H59B H 0.4550 0.7728 -0.0007 0.035 Uiso 1 1 calc R . .
C60 C 0.5575(6) 0.73266(17) 0.0106(4) 0.025 Uani 1 1 d . . .
C61 C 0.6567(7) 0.73673(18) -0.0145(4) 0.033 Uani 1 1 d . . .
H61 H 0.6545 0.7500 -0.0571 0.039 Uiso 1 1 calc R . .
C62 C 0.7560(6) 0.72238(19) 0.0200(4) 0.032 Uani 1 1 d . . .
H62 H 0.8222 0.7249 0.0008 0.038 Uiso 1 1 calc R . .
C63 C 0.7609(6) 0.70343(18) 0.0854(4) 0.030 Uani 1 1 d . . .
C64 C 0.6574(6) 0.70004(18) 0.1086(4) 0.024 Uani 1 1 d . . .
C65 C 0.6591(6) 0.67973(17) 0.1726(4) 0.024 Uani 1 1 d . . .
C66 C 0.7575(5) 0.66567(17) 0.2119(4) 0.025 Uani 1 1 d . . .
H66 H 0.7561 0.6528 0.2546 0.029 Uiso 1 1 calc R . .
C67 C 0.8640(6) 0.66991(18) 0.1903(4) 0.032 Uani 1 1 d . . .
H67 H 0.9332 0.6608 0.2192 0.038 Uiso 1 1 calc R . .
C68 C 0.8625(6) 0.68780(18) 0.1257(4) 0.032 Uani 1 1 d . . .
H68 H 0.9305 0.6896 0.1084 0.038 Uiso 1 1 calc R . .
C69 C 0.2890(8) 0.71167(18) -0.0708(4) 0.040 Uani 1 1 d . . .
H69A H 0.2065 0.7168 -0.0887 0.048 Uiso 1 1 calc R . .
H69B H 0.3248 0.7143 -0.1137 0.048 Uiso 1 1 calc R . .
C70 C 0.3017(6) 0.67750(18) -0.0451(4) 0.027 Uani 1 1 d . . .
C71 C 0.2693(6) 0.65175(19) -0.0995(5) 0.036 Uani 1 1 d . . .
H71 H 0.2433 0.6564 -0.1516 0.044 Uiso 1 1 calc R . .
C72 C 0.2772(7) 0.62013(19) -0.0735(5) 0.038 Uani 1 1 d . . .
H72 H 0.2583 0.6027 -0.1082 0.045 Uiso 1 1 calc R . .
C73 C 0.3124(6) 0.61383(18) 0.0029(4) 0.032 Uani 1 1 d . . .
H73 H 0.3142 0.5922 0.0207 0.038 Uiso 1 1 calc R . .
C74 C 0.3453(6) 0.63911(17) 0.0535(4) 0.025 Uani 1 1 d . . .
H74 H 0.3717 0.6344 0.1056 0.030 Uiso 1 1 calc R . .
C75 C 0.2606(6) 0.76001(18) 0.0026(4) 0.032 Uani 1 1 d . . .
H75A H 0.1860 0.7499 0.0027 0.039 Uiso 1 1 calc R . .
H75B H 0.2480 0.7764 -0.0381 0.039 Uiso 1 1 calc R . .
C76 C 0.3100(5) 0.77596(19) 0.0774(4) 0.029 Uani 1 1 d . . .
C77 C 0.2914(6) 0.80834(19) 0.0901(5) 0.035 Uani 1 1 d . . .
H77 H 0.2457 0.8214 0.0516 0.043 Uiso 1 1 calc R . .
C78 C 0.3410(6) 0.82141(19) 0.1606(4) 0.034 Uani 1 1 d . . .
H78 H 0.3304 0.8436 0.1707 0.041 Uiso 1 1 calc R . .
C79 C 0.4045(6) 0.80207(19) 0.2146(4) 0.033 Uani 1 1 d . . .
H79 H 0.4383 0.8106 0.2629 0.039 Uiso 1 1 calc R . .
C80 C 0.4200(6) 0.76954(19) 0.1991(4) 0.032 Uani 1 1 d . . .
H80 H 0.4650 0.7562 0.2372 0.038 Uiso 1 1 calc R . .
C81 C 0.5475(6) 0.65842(17) 0.2549(4) 0.027 Uani 1 1 d . . .
H81A H 0.5981 0.6394 0.2571 0.033 Uiso 1 1 calc R . .
H81B H 0.4681 0.6504 0.2488 0.033 Uiso 1 1 calc R . .
C82 C 0.5829(6) 0.67687(18) 0.3278(4) 0.023 Uani 1 1 d . . .
C83 C 0.5157(6) 0.70290(18) 0.3405(4) 0.028 Uani 1 1 d . . .
H83 H 0.4497 0.7089 0.3030 0.034 Uiso 1 1 calc R . .
C84 C 0.5441(7) 0.7196(2) 0.4065(5) 0.040 Uani 1 1 d . . .
H84 H 0.4987 0.7376 0.4136 0.048 Uiso 1 1 calc R . .
C85 C 0.6388(7) 0.7109(2) 0.4640(5) 0.032 Uani 1 1 d . . .
H85 H 0.6568 0.7223 0.5102 0.039 Uiso 1 1 calc R . .
C86 C 0.7058(7) 0.6849(2) 0.4519(4) 0.031 Uani 1 1 d . . .
H86 H 0.7708 0.6787 0.4901 0.037 Uiso 1 1 calc R . .
C87 C 0.6784(6) 0.66803(19) 0.3844(4) 0.026 Uani 1 1 d . . .
H87 H 0.7249 0.6504 0.3767 0.032 Uiso 1 1 calc R . .
C88 C 0.8732(6) 0.75177(19) 0.6554(4) 0.034 Uani 1 1 d . . .
H88A H 0.8787 0.7515 0.7101 0.040 Uiso 1 1 calc R . .
H88B H 0.8737 0.7290 0.6383 0.040 Uiso 1 1 calc R . .
C89 C 0.7608(6) 0.76769(19) 0.6151(4) 0.028 Uani 1 1 d . . .
C90 C 0.6631(6) 0.76063(17) 0.6412(4) 0.027 Uani 1 1 d . . .
H90 H 0.6689 0.7481 0.6855 0.032 Uiso 1 1 calc R . .
C91 C 0.5587(6) 0.77210(18) 0.6014(4) 0.028 Uani 1 1 d . . .
H91 H 0.4909 0.7672 0.6171 0.033 Uiso 1 1 calc R . .
C92 C 0.5538(6) 0.79109(17) 0.5372(4) 0.025 Uani 1 1 d . . .
C93 C 0.6569(5) 0.79788(16) 0.5166(4) 0.019 Uani 1 1 d . . .
C94 C 0.6554(5) 0.81865(16) 0.4536(4) 0.019 Uani 1 1 d . . .
C95 C 0.5549(5) 0.83061(18) 0.4143(4) 0.024 Uani 1 1 d . . .
H95 H 0.5543 0.8441 0.3722 0.029 Uiso 1 1 calc R . .
C96 C 0.4494(6) 0.8238(2) 0.4331(5) 0.034 Uani 1 1 d . . .
H96 H 0.3799 0.8330 0.4049 0.041 Uiso 1 1 calc R . .
C97 C 0.4495(6) 0.80360(18) 0.4928(4) 0.032 Uani 1 1 d . . .
H97 H 0.3791 0.7980 0.5044 0.038 Uiso 1 1 calc R . .
C98 C 1.0620(6) 0.74632(18) 0.6308(4) 0.036 Uani 1 1 d . . .
H98A H 1.0766 0.7301 0.6718 0.043 Uiso 1 1 calc R . .
H98B H 1.1343 0.7582 0.6330 0.043 Uiso 1 1 calc R . .
C99 C 1.0241(6) 0.72946(18) 0.5560(4) 0.030 Uani 1 1 d . . .
C100 C 1.0524(6) 0.69712(18) 0.5467(5) 0.036 Uani 1 1 d . . .
H100 H 1.0917 0.6844 0.5881 0.043 Uiso 1 1 calc R . .
C101 C 1.0228(7) 0.6849(2) 0.4785(6) 0.049 Uani 1 1 d . . .
H101 H 1.0421 0.6630 0.4718 0.058 Uiso 1 1 calc R . .
C102 C 0.9632(7) 0.7027(2) 0.4135(6) 0.052 Uani 1 1 d . . .
H102 H 0.9462 0.6935 0.3645 0.062 Uiso 1 1 calc R . .
C103 C 0.9320(6) 0.73406(18) 0.4268(5) 0.029 Uani 1 1 d . . .
H103 H 0.8900 0.7468 0.3863 0.035 Uiso 1 1 calc R . .
C104 C 1.0147(7) 0.7947(2) 0.6974(5) 0.044 Uani 1 1 d . . .
H10C H 1.0884 0.7878 0.7309 0.052 Uiso 1 1 calc R . .
H10D H 0.9587 0.7973 0.7287 0.052 Uiso 1 1 calc R . .
C105 C 1.0315(5) 0.82666(17) 0.6637(4) 0.023 Uani 1 1 d . . .
C106 C 1.0862(7) 0.8518(2) 0.7096(5) 0.034 Uani 1 1 d . . .
H106 H 1.1197 0.8475 0.7611 0.041 Uiso 1 1 calc R . .
C107 C 1.0933(7) 0.8826(2) 0.6829(4) 0.034 Uani 1 1 d . . .
H107 H 1.1280 0.8998 0.7148 0.040 Uiso 1 1 calc R . .
C108 C 1.0461(6) 0.88722(19) 0.6055(5) 0.034 Uani 1 1 d . . .
H108 H 1.0490 0.9080 0.5837 0.041 Uiso 1 1 calc R . .
C109 C 0.9961(6) 0.86188(17) 0.5617(5) 0.026 Uani 1 1 d . . .
H109 H 0.9651 0.8656 0.5096 0.031 Uiso 1 1 calc R . .
C110 C 0.7669(6) 0.84156(18) 0.3728(4) 0.023 Uani 1 1 d . . .
H11C H 0.8420 0.8524 0.3795 0.028 Uiso 1 1 calc R . .
H11D H 0.7068 0.8585 0.3623 0.028 Uiso 1 1 calc R . .
C111 C 0.7496(5) 0.81918(17) 0.3068(4) 0.018 Uani 1 1 d . . .
C112 C 0.7671(7) 0.83172(18) 0.2400(4) 0.031 Uani 1 1 d . . .
H112 H 0.7861 0.8539 0.2371 0.037 Uiso 1 1 calc R . .
C113 C 0.7571(7) 0.8122(2) 0.1786(5) 0.042 Uani 1 1 d . . .
H113 H 0.7697 0.8212 0.1335 0.051 Uiso 1 1 calc R . .
C114 C 0.7295(6) 0.7802(2) 0.1803(5) 0.034 Uani 1 1 d . . .
H114 H 0.7241 0.7669 0.1372 0.040 Uiso 1 1 calc R . .
C115 C 0.7095(6) 0.7670(2) 0.2465(5) 0.034 Uani 1 1 d . . .
H115 H 0.6905 0.7448 0.2487 0.040 Uiso 1 1 calc R . .
C116 C 0.7175(6) 0.78688(19) 0.3090(5) 0.033 Uani 1 1 d . . .
H116 H 0.7009 0.7783 0.3533 0.040 Uiso 1 1 calc R . .
C117 C 0.9175(6) 0.91873(18) 1.1396(5) 0.028 Uani 1 1 d . . .
H11E H 0.9111 0.9413 1.1209 0.033 Uiso 1 1 calc R . .
H11F H 0.9258 0.9195 1.1946 0.033 Uiso 1 1 calc R . .
C118 C 0.8074(6) 0.90061(18) 1.1031(4) 0.026 Uani 1 1 d . . .
C119 C 0.7127(6) 0.90396(17) 1.1373(4) 0.026 Uani 1 1 d . . .
H119 H 0.7191 0.9157 1.1826 0.031 Uiso 1 1 calc R . .
C120 C 0.6106(6) 0.88899(18) 1.1004(4) 0.027 Uani 1 1 d . . .
H120 H 0.5443 0.8915 1.1194 0.033 Uiso 1 1 calc R . .
C121 C 0.6041(6) 0.87050(17) 1.0365(4) 0.024 Uani 1 1 d . . .
C122 C 0.7042(5) 0.86676(17) 1.0084(4) 0.022 Uani 1 1 d . . .
C123 C 0.7040(5) 0.84787(17) 0.9457(4) 0.021 Uani 1 1 d . . .
C124 C 0.6024(6) 0.83241(18) 0.9097(5) 0.033 Uani 1 1 d . . .
H124 H 0.6004 0.8190 0.8673 0.040 Uiso 1 1 calc R . .
C125 C 0.5041(6) 0.83655(18) 0.9359(4) 0.031 Uani 1 1 d . . .
H125 H 0.4356 0.8260 0.9102 0.037 Uiso 1 1 calc R . .
C126 C 0.5023(6) 0.85487(19) 0.9959(4) 0.033 Uani 1 1 d . . .
H126 H 0.4329 0.8574 1.0114 0.040 Uiso 1 1 calc R . .
C127 C 1.0746(7) 0.88026(18) 1.1832(4) 0.028 Uani 1 1 d . . .
H12A H 1.0458 0.8845 1.2285 0.034 Uiso 1 1 calc R . .
H12B H 1.1585 0.8838 1.1969 0.034 Uiso 1 1 calc R . .
C128 C 1.0513(5) 0.84492(18) 1.1606(4) 0.021 Uani 1 1 d . . .
C129 C 1.0712(6) 0.82159(18) 1.2130(4) 0.027 Uani 1 1 d . . .
H129 H 1.0960 0.8271 1.2647 0.032 Uiso 1 1 calc R . .
C130 C 1.0557(7) 0.7894(2) 1.1919(5) 0.039 Uani 1 1 d . . .
H130 H 1.0702 0.7727 1.2284 0.046 Uiso 1 1 calc R . .
C131 C 1.0191(6) 0.7823(2) 1.1168(5) 0.033 Uani 1 1 d . . .
H131 H 1.0063 0.7606 1.1003 0.040 Uiso 1 1 calc R . .
C132 C 1.0010(6) 0.80739(17) 1.0657(5) 0.027 Uani 1 1 d . . .
H132 H 0.9778 0.8024 1.0136 0.032 Uiso 1 1 calc R . .
C133 C 1.0999(6) 0.92880(17) 1.1085(4) 0.023 Uani 1 1 d . . .
H13C H 1.1753 0.9190 1.1094 0.028 Uiso 1 1 calc R . .
H13D H 1.1114 0.9457 1.1479 0.028 Uiso 1 1 calc R . .
C134 C 1.0510(6) 0.94385(17) 1.0328(4) 0.023 Uani 1 1 d . . .
C135 C 1.0692(6) 0.9758(2) 1.0190(5) 0.033 Uani 1 1 d . . .
H135 H 1.1112 0.9892 1.0582 0.040 Uiso 1 1 calc R . .
C136 C 1.0265(7) 0.9884(2) 0.9483(5) 0.043 Uani 1 1 d . . .
H136 H 1.0399 1.0104 0.9380 0.051 Uiso 1 1 calc R . .
C137 C 0.9636(7) 0.96856(19) 0.8923(5) 0.039 Uani 1 1 d . . .
H137 H 0.9325 0.9766 0.8430 0.046 Uiso 1 1 calc R . .
C138 C 0.9476(6) 0.93669(18) 0.9102(4) 0.027 Uani 1 1 d . . .
H138 H 0.9063 0.9228 0.8719 0.032 Uiso 1 1 calc R . .
C139 C 0.8158(5) 0.82561(17) 0.8615(3) 0.021 Uani 1 1 d . . .
H13A H 0.7675 0.8061 0.8593 0.025 Uiso 1 1 calc R . .
H13B H 0.8961 0.8184 0.8679 0.025 Uiso 1 1 calc R . .
C140 C 0.7790(5) 0.84380(17) 0.7893(4) 0.024 Uani 1 1 d . . .
C141 C 0.6826(6) 0.83513(18) 0.7346(4) 0.031 Uani 1 1 d . . .
H141 H 0.6369 0.8174 0.7431 0.038 Uiso 1 1 calc R . .
C142 C 0.6520(7) 0.85226(18) 0.6666(4) 0.032 Uani 1 1 d . . .
H142 H 0.5859 0.8462 0.6291 0.039 Uiso 1 1 calc R . .
C143 C 0.7195(6) 0.87845(18) 0.6542(4) 0.027 Uani 1 1 d . . .
H143 H 0.6983 0.8903 0.6086 0.033 Uiso 1 1 calc R . .
C144 C 0.8160(6) 0.88700(18) 0.7078(4) 0.030 Uani 1 1 d . . .
H144 H 0.8619 0.9047 0.6993 0.036 Uiso 1 1 calc R . .
C145 C 0.8462(6) 0.86939(18) 0.7752(4) 0.027 Uani 1 1 d . . .
H145 H 0.9138 0.8750 0.8119 0.032 Uiso 1 1 calc R . .
C146 C 0.4656(5) 0.91378(18) 0.4741(4) 0.026 Uani 1 1 d . . .
H14A H 0.4525 0.9119 0.4189 0.031 Uiso 1 1 calc R . .
H14B H 0.4726 0.8916 0.4952 0.031 Uiso 1 1 calc R . .
C147 C 0.5752(6) 0.93105(16) 0.5036(3) 0.022 Uani 1 1 d . . .
C148 C 0.6719(6) 0.92649(19) 0.4731(5) 0.034 Uani 1 1 d . . .
H148 H 0.6638 0.9140 0.4286 0.041 Uiso 1 1 calc R . .
C149 C 0.7747(6) 0.93932(18) 0.5053(4) 0.032 Uani 1 1 d . . .
H149 H 0.8381 0.9359 0.4839 0.039 Uiso 1 1 calc R . .
C150 C 0.7875(6) 0.95818(16) 0.5724(4) 0.029 Uani 1 1 d . . .
C151 C 0.6864(5) 0.96373(17) 0.5977(4) 0.022 Uani 1 1 d . . .
C152 C 0.6925(5) 0.98413(17) 0.6607(4) 0.023 Uani 1 1 d . . .
C153 C 0.7942(6) 0.99836(19) 0.6995(5) 0.034 Uani 1 1 d . . .
H153 H 0.7968 1.0123 0.7411 0.041 Uiso 1 1 calc R . .
C154 C 0.8959(5) 0.99110(17) 0.6740(4) 0.030 Uani 1 1 d . . .
H154 H 0.9680 0.9990 0.7016 0.036 Uiso 1 1 calc R . .
C155 C 0.8905(6) 0.97318(18) 0.6113(4) 0.035 Uani 1 1 d . . .
H155 H 0.9575 0.9706 0.5931 0.042 Uiso 1 1 calc R . .
C156 C 0.3070(7) 0.95289(17) 0.4326(4) 0.033 Uani 1 1 d . . .
H15A H 0.2239 0.9480 0.4180 0.040 Uiso 1 1 calc R . .
H15B H 0.3377 0.9499 0.3876 0.040 Uiso 1 1 calc R . .
C157 C 0.3230(6) 0.98747(19) 0.4573(4) 0.028 Uani 1 1 d . . .
C158 C 0.2905(7) 1.01260(18) 0.4039(4) 0.030 Uani 1 1 d . . .
H158 H 0.2592 1.0078 0.3523 0.036 Uiso 1 1 calc R . .
C159 C 0.3053(7) 1.04442(18) 0.4287(5) 0.038 Uani 1 1 d . . .
H159 H 0.2878 1.0617 0.3935 0.045 Uiso 1 1 calc R . .
C160 C 0.3460(6) 1.0511(2) 0.5054(4) 0.032 Uani 1 1 d . . .
H160 H 0.3527 1.0728 0.5235 0.038 Uiso 1 1 calc R . .
C161 C 0.3761(6) 1.02529(17) 0.5540(4) 0.023 Uani 1 1 d . . .
H161 H 0.4056 1.0295 0.6060 0.028 Uiso 1 1 calc R . .
C162 C 0.2853(6) 0.90513(17) 0.5060(4) 0.029 Uani 1 1 d . . .
H16C H 0.2741 0.8882 0.4668 0.035 Uiso 1 1 calc R . .
H16D H 0.2100 0.9152 0.5042 0.035 Uiso 1 1 calc R . .
C163 C 0.3327(6) 0.89003(17) 0.5829(4) 0.029 Uani 1 1 d . . .
C164 C 0.3084(7) 0.8586(2) 0.5993(5) 0.042 Uani 1 1 d . . .
H164 H 0.2651 0.8451 0.5610 0.051 Uiso 1 1 calc R . .
C165 C 0.3460(6) 0.84726(18) 0.6695(5) 0.036 Uani 1 1 d . . .
H165 H 0.3317 0.8255 0.6815 0.044 Uiso 1 1 calc R . .
C166 C 0.4061(7) 0.8681(2) 0.7235(6) 0.049 Uani 1 1 d . . .
H166 H 0.4320 0.8608 0.7739 0.058 Uiso 1 1 calc R . .
C167 C 0.4290(6) 0.8993(2) 0.7053(5) 0.036 Uani 1 1 d . . .
H167 H 0.4714 0.9133 0.7432 0.043 Uiso 1 1 calc R . .
C168 C 0.5860(6) 1.00727(17) 0.7461(4) 0.026 Uani 1 1 d . . .
H16A H 0.5096 1.0174 0.7396 0.031 Uiso 1 1 calc R . .
H16B H 0.6439 1.0247 0.7531 0.031 Uiso 1 1 calc R . .
C169 C 0.6104(5) 0.98543(18) 0.8155(4) 0.025 Uani 1 1 d . . .
C170 C 0.6436(6) 0.95286(17) 0.8128(4) 0.029 Uani 1 1 d . . .
H170 H 0.6564 0.9439 0.7678 0.035 Uiso 1 1 calc R . .
C171 C 0.6573(6) 0.93408(18) 0.8775(4) 0.034 Uani 1 1 d . . .
H171 H 0.6783 0.9119 0.8768 0.040 Uiso 1 1 calc R . .
C172 C 0.6402(7) 0.9477(2) 0.9426(5) 0.038 Uani 1 1 d . . .
H172 H 0.6506 0.9348 0.9867 0.045 Uiso 1 1 calc R . .
C173 C 0.6085(7) 0.9795(2) 0.9445(5) 0.043 Uani 1 1 d . . .
H173 H 0.5983 0.9888 0.9898 0.051 Uiso 1 1 calc R . .
C174 C 0.5915(7) 0.9980(2) 0.8787(5) 0.040 Uani 1 1 d . . .
H174 H 0.5662 1.0198 0.8789 0.049 Uiso 1 1 calc R . .
Cl1 Cl 1.11885(14) 0.53056(4) 0.93557(9) 0.028 Uani 1 1 d . . .
Cl2 Cl 0.26476(13) 0.63948(4) 0.68599(10) 0.023 Uani 1 1 d . . .
Cl3 Cl 0.20920(13) 0.70115(4) 0.18937(9) 0.022 Uani 1 1 d . . .
Cl4 Cl 1.10495(13) 0.80560(4) 0.43367(10) 0.023 Uani 1 1 d . . .
Cl5 Cl 1.15595(13) 0.86682(4) 0.92993(9) 0.022 Uani 1 1 d . . .
Cl6 Cl 0.24440(13) 0.97026(4) 0.68913(9) 0.023 Uani 1 1 d . . .
Cl7 Cl 0.97620(15) 0.59785(5) 0.36553(11) 0.030 Uani 1 1 d . . .
Cl8 Cl 0.39741(15) 0.56879(5) 0.24734(10) 0.029 Uani 1 1 d . . .
Cl9 Cl 0.94384(15) 0.73529(4) 0.87148(9) 0.029 Uani 1 1 d . . .
Cl10 Cl 0.39350(14) 0.76143(4) 0.75932(9) 0.026 Uani 1 1 d . . .
Cl11 Cl 0.94823(15) 0.92811(5) 0.35385(10) 0.029 Uani 1 1 d . . .
Cl12 Cl 0.43343(14) 0.90474(4) 0.25661(9) 0.027 Uani 1 1 d . . .
N1 N 0.7626(5) 0.54595(14) 1.0460(3) 0.026 Uani 1 1 d . . .
N2 N 0.9942(5) 0.49857(15) 1.0908(3) 0.025 Uani 1 1 d . . .
N3 N 0.9666(5) 0.58513(15) 1.0041(3) 0.028 Uani 1 1 d . . .
N4 N 0.9696(5) 0.56047(17) 1.1428(4) 0.039 Uani 1 1 d . . .
N5 N 0.6147(5) 0.62117(14) 0.5642(3) 0.020 Uani 1 1 d . . .
N6 N 0.3769(5) 0.66798(14) 0.5288(3) 0.021 Uani 1 1 d . . .
N7 N 0.4029(5) 0.58248(14) 0.6128(3) 0.023 Uani 1 1 d . . .
N8 N 0.4007(5) 0.60649(15) 0.4757(3) 0.023 Uani 1 1 d . . .
N9 N 0.5586(5) 0.71431(14) 0.0725(3) 0.024 Uani 1 1 d . . .
N10 N 0.3404(5) 0.67038(14) 0.0299(3) 0.023 Uani 1 1 d . . .
N11 N 0.3730(4) 0.75676(13) 0.1317(3) 0.022 Uani 1 1 d . . .
N12 N 0.3425(5) 0.73492(14) -0.0104(3) 0.024 Uani 1 1 d . . .
N13 N 0.7597(4) 0.78574(14) 0.5554(3) 0.018 Uani 1 1 d . . .
N14 N 0.9605(4) 0.74679(14) 0.4970(3) 0.025 Uani 1 1 d . . .
N15 N 0.9887(5) 0.83135(14) 0.5897(3) 0.020 Uani 1 1 d . . .
N16 N 0.9736(5) 0.76890(15) 0.6409(4) 0.032 Uani 1 1 d . . .
N17 N 0.8036(5) 0.88288(14) 1.0438(3) 0.019 Uani 1 1 d . . .
N18 N 1.0151(5) 0.83926(14) 1.0868(3) 0.021 Uani 1 1 d . . .
N19 N 0.9888(5) 0.92440(15) 0.9806(3) 0.021 Uani 1 1 d . . .
N20 N 1.0217(5) 0.90378(15) 1.1242(3) 0.024 Uani 1 1 d . . .
N21 N 0.5831(5) 0.94933(14) 0.5644(3) 0.025 Uani 1 1 d . . .
N22 N 0.3653(5) 0.99491(15) 0.5307(3) 0.024 Uani 1 1 d . . .
N23 N 0.3927(5) 0.91005(15) 0.6357(4) 0.029 Uani 1 1 d . . .
N24 N 0.3641(5) 0.92943(14) 0.4914(3) 0.026 Uani 1 1 d . . .
O1 O 0.7734(4) 0.50924(12) 0.9298(3) 0.032 Uani 1 1 d . . .
O2 O 1.0032(4) 0.52221(12) 0.9408(3) 0.029 Uani 1 1 d . . .
O3 O 1.1663(4) 0.50286(13) 0.9068(3) 0.041 Uani 1 1 d . . .
O4 O 1.1120(4) 0.55744(12) 0.8846(3) 0.034 Uani 1 1 d . . .
O5 O 1.1843(4) 0.53844(13) 1.0094(3) 0.035 Uani 1 1 d . . .
O6 O 0.6076(4) 0.65845(12) 0.6798(3) 0.022 Uani 1 1 d . . .
O7 O 0.3846(4) 0.64461(12) 0.6830(3) 0.021 Uani 1 1 d . . .
O8 O 0.2009(4) 0.62918(13) 0.6124(3) 0.031 Uani 1 1 d . . .
O9 O 0.2616(5) 0.61516(14) 0.7397(3) 0.040 Uani 1 1 d . . .
O10 O 0.2215(4) 0.66950(14) 0.7074(3) 0.038 Uani 1 1 d . . .
O11 O 0.5531(4) 0.67802(12) 0.1898(3) 0.024 Uani 1 1 d . . .
O12 O 0.1434(4) 0.71064(12) 0.1149(3) 0.028 Uani 1 1 d . . .
O13 O 0.1561(4) 0.67445(12) 0.2176(3) 0.032 Uani 1 1 d . . .
O14 O 0.2228(4) 0.72761(13) 0.2412(3) 0.033 Uani 1 1 d . . .
O15 O 0.3230(4) 0.69004(11) 0.1824(3) 0.024 Uani 1 1 d . . .
O16 O 0.7631(4) 0.82478(12) 0.4430(2) 0.019 Uani 1 1 d . . .
O17 O 0.9838(4) 0.81035(12) 0.4345(3) 0.023 Uani 1 1 d . . .
O18 O 1.1500(4) 0.83595(13) 0.4179(3) 0.034 Uani 1 1 d . . .
O19 O 1.1100(5) 0.78267(13) 0.3759(3) 0.032 Uani 1 1 d . . .
O20 O 1.1649(4) 0.79388(12) 0.5065(3) 0.025 Uani 1 1 d . . .
O21 O 0.8074(4) 0.84525(11) 0.9270(3) 0.022 Uani 1 1 d . . .
O22 O 1.0396(4) 0.85745(12) 0.9342(3) 0.025 Uani 1 1 d . . .
O23 O 1.1445(5) 0.89125(12) 0.8730(3) 0.033 Uani 1 1 d . . .
O24 O 1.2117(4) 0.83862(12) 0.9103(3) 0.034 Uani 1 1 d . . .
O25 O 1.2145(4) 0.87903(12) 1.0021(3) 0.030 Uani 1 1 d . . .
O26 O 0.5891(4) 0.98855(12) 0.6795(3) 0.026 Uani 1 1 d . . .
O27 O 0.3640(4) 0.97591(12) 0.6883(3) 0.026 Uani 1 1 d . . .
O28 O 0.2403(5) 0.94744(13) 0.7462(3) 0.035 Uani 1 1 d . . .
O29 O 0.1942(5) 1.00079(13) 0.7032(3) 0.043 Uani 1 1 d . . .
O30 O 0.1850(4) 0.95747(12) 0.6163(3) 0.032 Uani 1 1 d . . .
O31 O 0.3538(6) 0.5714(3) 0.1706(4) 0.131 Uani 1 1 d . . .
O32 O 0.3473(7) 0.5935(3) 0.2766(6) 0.141 Uani 1 1 d . . .
O33 O 0.5171(5) 0.57260(19) 0.2742(4) 0.071 Uani 1 1 d . . .
O34 O 0.3601(11) 0.5421(3) 0.2677(7) 0.215 Uani 1 1 d . . .
O35 O 0.9068(7) 0.6252(2) 0.3561(5) 0.112 Uani 1 1 d . . .
O36 O 1.0509(6) 0.6008(2) 0.3203(3) 0.082 Uani 1 1 d . . .
O37 O 0.9102(12) 0.5725(3) 0.3439(5) 0.172 Uani 1 1 d . . .
O38 O 1.0298(5) 0.5974(2) 0.4434(4) 0.082 Uani 1 1 d . . .
O39 O 0.9961(7) 0.7089(2) 0.8390(5) 0.107 Uani 1 1 d . . .
O40 O 0.9794(5) 0.7358(2) 0.9507(3) 0.074 Uani 1 1 d . . .
O41 O 0.9881(6) 0.76367(17) 0.8476(4) 0.079 Uani 1 1 d . . .
O42 O 0.8225(5) 0.7346(2) 0.8450(4) 0.080 Uani 1 1 d . . .
O43 O 0.5001(6) 0.7763(2) 0.7744(4) 0.097 Uani 1 1 d . . .
O44 O 0.3439(4) 0.76145(18) 0.6799(3) 0.053 Uani 1 1 d . . .
O45 O 0.4161(8) 0.72917(17) 0.7866(5) 0.093 Uani 1 1 d . . .
O46 O 0.3168(6) 0.77620(18) 0.7980(3) 0.071 Uani 1 1 d . . .
O47 O 0.9345(6) 0.89701(15) 0.3217(4) 0.058 Uani 1 1 d . . .
O48 O 0.9975(4) 0.92569(13) 0.4331(3) 0.032 Uani 1 1 d . . .
O49 O 0.8394(5) 0.94469(19) 0.3422(4) 0.070 Uani 1 1 d . . .
O50 O 1.0201(5) 0.94715(15) 0.3205(3) 0.050 Uani 1 1 d . . .
O51 O 0.5481(5) 0.8934(2) 0.2716(4) 0.083 Uani 1 1 d . . .
O52 O 0.3883(4) 0.90565(16) 0.1765(3) 0.045 Uani 1 1 d . . .
O53 O 0.4359(8) 0.93612(17) 0.2910(4) 0.086 Uani 1 1 d . . .
O54 O 0.3684(5) 0.88324(15) 0.2888(3) 0.049 Uani 1 1 d . . .
Zn1 Zn 0.92237(6) 0.538151(19) 1.02926(4) 0.024 Uani 1 1 d . . .
Zn2 Zn 0.45423(6) 0.62837(2) 0.58849(4) 0.020 Uani 1 1 d . . .
Zn3 Zn 0.39980(6) 0.709504(18) 0.09780(4) 0.020 Uani 1 1 d . . .
Zn4 Zn 0.91624(6) 0.792773(18) 0.52894(4) 0.019 Uani 1 1 d . . .
Zn5 Zn 0.96106(6) 0.877786(19) 1.01719(4) 0.018 Uani 1 1 d . . .
Zn6 Zn 0.42941(6) 0.955513(19) 0.59775(4) 0.022 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'
Cl Cl 0.1484 0.1585 '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
O1 C1 C2 126.3(7) . . ?
O1 C1 C6 114.9(6) . . ?
C2 C1 C6 118.8(6) . . ?
C1 C2 C3 121.5(8) . . ?
C1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
C4 C3 C2 119.8(8) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 120.6(7) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C6 120.7(7) . . ?
C4 C5 C7 123.1(7) . . ?
C6 C5 C7 116.2(7) . . ?
N1 C6 C1 118.2(6) . . ?
N1 C6 C5 123.2(7) . . ?
C1 C6 C5 118.6(6) . . ?
C8 C7 C5 120.1(7) . . ?
C8 C7 H7 120.0 . . ?
C5 C7 H7 120.0 . . ?
C9 C8 C7 118.9(8) . . ?
C9 C8 H8 120.6 . . ?
C7 C8 H8 120.6 . . ?
N1 C9 C8 125.2(7) . . ?
N1 C9 C10 115.4(7) . . ?
C8 C9 C10 119.3(7) . . ?
N4 C10 C9 112.8(6) . . ?
N4 C10 H10A 109.0 . . ?
C9 C10 H10A 109.0 . . ?
N4 C10 H10B 109.0 . . ?
C9 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
C12 C11 N4 109.5(6) . . ?
C12 C11 H11A 109.8 . . ?
N4 C11 H11A 109.8 . . ?
C12 C11 H11B 109.8 . . ?
N4 C11 H11B 109.8 . . ?
H11A C11 H11B 108.2 . . ?
N3 C12 C13 119.7(8) . . ?
N3 C12 C11 116.5(7) . . ?
C13 C12 C11 123.8(7) . . ?
C14 C13 C12 121.8(8) . . ?
C14 C13 H13 119.1 . . ?
C12 C13 H13 119.1 . . ?
C13 C14 C15 119.1(8) . . ?
C13 C14 H14 120.5 . . ?
C15 C14 H14 120.5 . . ?
C16 C15 C14 119.9(9) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
N3 C16 C15 120.9(9) . . ?
N3 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
N4 C17 C18 114.1(7) . . ?
N4 C17 H17A 108.7 . . ?
C18 C17 H17A 108.7 . . ?
N4 C17 H17B 108.7 . . ?
C18 C17 H17B 108.7 . . ?
H17A C17 H17B 107.6 . . ?
N2 C18 C19 120.7(7) . . ?
N2 C18 C17 119.1(7) . . ?
C19 C18 C17 120.0(7) . . ?
C20 C19 C18 121.9(7) . . ?
C20 C19 H19 119.1 . . ?
C18 C19 H19 119.1 . . ?
C19 C20 C21 117.0(7) . . ?
C19 C20 H20 121.5 . . ?
C21 C20 H20 121.5 . . ?
C22 C21 C20 118.3(8) . . ?
C22 C21 H21 120.8 . . ?
C20 C21 H21 120.8 . . ?
N2 C22 C21 123.0(8) . . ?
N2 C22 H22 118.5 . . ?
C21 C22 H22 118.5 . . ?
O1 C23 C24 112.1(5) . . ?
O1 C23 H23A 109.2 . . ?
C24 C23 H23A 109.2 . . ?
O1 C23 H23B 109.2 . . ?
C24 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C25 C24 C29 116.3(7) . . ?
C25 C24 C23 120.2(7) . . ?
C29 C24 C23 123.3(7) . . ?
C26 C25 C24 121.5(8) . . ?
C26 C25 H25 119.2 . . ?
C24 C25 H25 119.2 . . ?
C27 C26 C25 118.8(8) . . ?
C27 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
C28 C27 C26 122.9(8) . . ?
C28 C27 H27 118.6 . . ?
C26 C27 H27 118.6 . . ?
C27 C28 C29 118.1(7) . . ?
C27 C28 H28 120.9 . . ?
C29 C28 H28 120.9 . . ?
C28 C29 C24 122.3(7) . . ?
C28 C29 H29 118.9 . . ?
C24 C29 H29 118.9 . . ?
C31 C30 O6 125.3(7) . . ?
C31 C30 C35 121.2(6) . . ?
O6 C30 C35 113.4(6) . . ?
C30 C31 C32 118.0(7) . . ?
C30 C31 H31 121.0 . . ?
C32 C31 H31 121.0 . . ?
C33 C32 C31 122.9(7) . . ?
C33 C32 H32 118.5 . . ?
C31 C32 H32 118.5 . . ?
C32 C33 C34 120.4(7) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
C33 C34 C36 124.7(7) . . ?
C33 C34 C35 118.2(7) . . ?
C36 C34 C35 117.1(7) . . ?
N5 C35 C30 119.7(6) . . ?
N5 C35 C34 121.0(6) . . ?
C30 C35 C34 119.3(6) . . ?
C37 C36 C34 121.0(7) . . ?
C37 C36 H36 119.5 . . ?
C34 C36 H36 119.5 . . ?
C36 C37 C38 120.8(7) . . ?
C36 C37 H37 119.6 . . ?
C38 C37 H37 119.6 . . ?
N5 C38 C37 118.6(7) . . ?
N5 C38 C39 119.5(6) . . ?
C37 C38 C39 121.7(7) . . ?
C38 C39 N8 112.0(6) . . ?
C38 C39 H39A 109.2 . . ?
N8 C39 H39A 109.2 . . ?
C38 C39 H39B 109.2 . . ?
N8 C39 H39B 109.2 . . ?
H39A C39 H39B 107.9 . . ?
N8 C40 C41 112.1(6) . . ?
N8 C40 H40A 109.2 . . ?
C41 C40 H40A 109.2 . . ?
N8 C40 H40B 109.2 . . ?
C41 C40 H40B 109.2 . . ?
H40A C40 H40B 107.9 . . ?
C42 C41 N6 121.2(7) . . ?
C42 C41 C40 120.8(7) . . ?
N6 C41 C40 117.8(6) . . ?
C41 C42 C43 118.4(8) . . ?
C41 C42 H42 120.8 . . ?
C43 C42 H42 120.8 . . ?
C44 C43 C42 120.3(8) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C43 C44 C45 119.6(8) . . ?
C43 C44 H44 120.2 . . ?
C45 C44 H44 120.2 . . ?
N6 C45 C44 122.2(7) . . ?
N6 C45 H45 118.9 . . ?
C44 C45 H45 118.9 . . ?
N8 C46 C47 108.3(6) . . ?
N8 C46 H46A 110.0 . . ?
C47 C46 H46A 110.0 . . ?
N8 C46 H46B 110.0 . . ?
C47 C46 H46B 110.0 . . ?
H46A C46 H46B 108.4 . . ?
N7 C47 C48 122.6(8) . . ?
N7 C47 C46 116.0(7) . . ?
C48 C47 C46 121.3(7) . . ?
C47 C48 C49 117.9(8) . . ?
C47 C48 H48 121.0 . . ?
C49 C48 H48 121.0 . . ?
C50 C49 C48 119.3(8) . . ?
C50 C49 H49 120.3 . . ?
C48 C49 H49 120.3 . . ?
C49 C50 C51 117.9(8) . . ?
C49 C50 H50 121.0 . . ?
C51 C50 H50 121.0 . . ?
N7 C51 C50 124.4(8) . . ?
N7 C51 H51 117.8 . . ?
C50 C51 H51 117.8 . . ?
O6 C52 C53 112.3(6) . . ?
O6 C52 H52A 109.1 . . ?
C53 C52 H52A 109.1 . . ?
O6 C52 H52B 109.1 . . ?
C53 C52 H52B 109.1 . . ?
H52A C52 H52B 107.9 . . ?
C58 C53 C54 120.5(7) . . ?
C58 C53 C52 117.4(7) . . ?
C54 C53 C52 122.0(6) . . ?
C53 C54 C55 120.1(6) . . ?
C53 C54 H54 119.9 . . ?
C55 C54 H54 119.9 . . ?
C54 C55 C56 120.9(7) . . ?
C54 C55 H55 119.6 . . ?
C56 C55 H55 119.6 . . ?
C57 C56 C55 117.8(8) . . ?
C57 C56 H56 121.1 . . ?
C55 C56 H56 121.1 . . ?
C56 C57 C58 122.1(7) . . ?
C56 C57 H57 118.9 . . ?
C58 C57 H57 118.9 . . ?
C53 C58 C57 118.6(8) . . ?
C53 C58 H58 120.7 . . ?
C57 C58 H58 120.7 . . ?
C60 C59 N12 114.0(6) . . ?
C60 C59 H59A 108.7 . . ?
N12 C59 H59A 108.7 . . ?
C60 C59 H59B 108.7 . . ?
N12 C59 H59B 108.7 . . ?
H59A C59 H59B 107.6 . . ?
N9 C60 C61 120.5(7) . . ?
N9 C60 C59 116.8(6) . . ?
C61 C60 C59 122.4(7) . . ?
C62 C61 C60 121.8(7) . . ?
C62 C61 H61 119.1 . . ?
C60 C61 H61 119.1 . . ?
C61 C62 C63 119.3(7) . . ?
C61 C62 H62 120.3 . . ?
C63 C62 H62 120.3 . . ?
C64 C63 C68 120.4(7) . . ?
C64 C63 C62 116.6(7) . . ?
C68 C63 C62 123.0(7) . . ?
N9 C64 C63 122.9(6) . . ?
N9 C64 C65 119.6(6) . . ?
C63 C64 C65 117.6(6) . . ?
C66 C65 O11 126.1(6) . . ?
C66 C65 C64 121.4(6) . . ?
O11 C65 C64 112.5(6) . . ?
C65 C66 C67 121.4(7) . . ?
C65 C66 H66 119.3 . . ?
C67 C66 H66 119.3 . . ?
C68 C67 C66 118.0(7) . . ?
C68 C67 H67 121.0 . . ?
C66 C67 H67 121.0 . . ?
C67 C68 C63 121.1(6) . . ?
C67 C68 H68 119.4 . . ?
C63 C68 H68 119.4 . . ?
C70 C69 N12 112.6(6) . . ?
C70 C69 H69A 109.1 . . ?
N12 C69 H69A 109.1 . . ?
C70 C69 H69B 109.1 . . ?
N12 C69 H69B 109.1 . . ?
H69A C69 H69B 107.8 . . ?
N10 C70 C71 120.2(7) . . ?
N10 C70 C69 120.3(6) . . ?
C71 C70 C69 119.5(7) . . ?
C72 C71 C70 118.2(7) . . ?
C72 C71 H71 120.9 . . ?
C70 C71 H71 120.9 . . ?
C71 C72 C73 120.2(7) . . ?
C71 C72 H72 119.9 . . ?
C73 C72 H72 119.9 . . ?
C72 C73 C74 120.1(7) . . ?
C72 C73 H73 119.9 . . ?
C74 C73 H73 119.9 . . ?
N10 C74 C73 121.2(7) . . ?
N10 C74 H74 119.4 . . ?
C73 C74 H74 119.4 . . ?
N12 C75 C76 108.7(6) . . ?
N12 C75 H75A 110.0 . . ?
C76 C75 H75A 110.0 . . ?
N12 C75 H75B 110.0 . . ?
C76 C75 H75B 110.0 . . ?
H75A C75 H75B 108.3 . . ?
N11 C76 C77 121.7(7) . . ?
N11 C76 C75 116.1(7) . . ?
C77 C76 C75 122.1(7) . . ?
C76 C77 C78 118.7(7) . . ?
C76 C77 H77 120.7 . . ?
C78 C77 H77 120.7 . . ?
C79 C78 C77 119.2(7) . . ?
C79 C78 H78 120.4 . . ?
C77 C78 H78 120.4 . . ?
C78 C79 C80 119.9(7) . . ?
C78 C79 H79 120.0 . . ?
C80 C79 H79 120.0 . . ?
N11 C80 C79 121.4(7) . . ?
N11 C80 H80 119.3 . . ?
C79 C80 H80 119.3 . . ?
O11 C81 C82 112.7(6) . . ?
O11 C81 H81A 109.1 . . ?
C82 C81 H81A 109.1 . . ?
O11 C81 H81B 109.1 . . ?
C82 C81 H81B 109.1 . . ?
H81A C81 H81B 107.8 . . ?
C87 C82 C83 118.8(7) . . ?
C87 C82 C81 122.1(7) . . ?
C83 C82 C81 119.1(6) . . ?
C84 C83 C82 120.5(8) . . ?
C84 C83 H83 119.7 . . ?
C82 C83 H83 119.7 . . ?
C83 C84 C85 121.3(9) . . ?
C83 C84 H84 119.3 . . ?
C85 C84 H84 119.3 . . ?
C86 C85 C84 118.5(8) . . ?
C86 C85 H85 120.7 . . ?
C84 C85 H85 120.7 . . ?
C87 C86 C85 120.5(8) . . ?
C87 C86 H86 119.8 . . ?
C85 C86 H86 119.8 . . ?
C86 C87 C82 120.3(7) . . ?
C86 C87 H87 119.8 . . ?
C82 C87 H87 119.8 . . ?
N16 C88 C89 112.0(6) . . ?
N16 C88 H88A 109.2 . . ?
C89 C88 H88A 109.2 . . ?
N16 C88 H88B 109.2 . . ?
C89 C88 H88B 109.2 . . ?
H88A C88 H88B 107.9 . . ?
N13 C89 C90 124.0(7) . . ?
N13 C89 C88 118.3(6) . . ?
C90 C89 C88 117.6(7) . . ?
C91 C90 C89 118.7(7) . . ?
C91 C90 H90 120.6 . . ?
C89 C90 H90 120.6 . . ?
C90 C91 C92 119.1(6) . . ?
C90 C91 H91 120.5 . . ?
C92 C91 H91 120.5 . . ?
C91 C92 C93 118.3(6) . . ?
C91 C92 C97 122.5(6) . . ?
C93 C92 C97 119.2(7) . . ?
N13 C93 C92 122.2(6) . . ?
N13 C93 C94 118.2(6) . . ?
C92 C93 C94 119.6(6) . . ?
C95 C94 O16 127.6(6) . . ?
C95 C94 C93 119.1(6) . . ?
O16 C94 C93 113.2(5) . . ?
C94 C95 C96 122.5(7) . . ?
C94 C95 H95 118.8 . . ?
C96 C95 H95 118.8 . . ?
C97 C96 C95 118.9(7) . . ?
C97 C96 H96 120.5 . . ?
C95 C96 H96 120.5 . . ?
C96 C97 C92 120.5(7) . . ?
C96 C97 H97 119.7 . . ?
C92 C97 H97 119.7 . . ?
N16 C98 C99 110.0(6) . . ?
N16 C98 H98A 109.7 . . ?
C99 C98 H98A 109.7 . . ?
N16 C98 H98B 109.7 . . ?
C99 C98 H98B 109.7 . . ?
H98A C98 H98B 108.2 . . ?
N14 C99 C100 120.6(7) . . ?
N14 C99 C98 117.8(6) . . ?
C100 C99 C98 121.6(7) . . ?
C101 C100 C99 117.7(8) . . ?
C101 C100 H100 121.2 . . ?
C99 C100 H100 121.2 . . ?
C100 C101 C102 124.1(8) . . ?
C100 C101 H101 117.9 . . ?
C102 C101 H101 117.9 . . ?
C103 C102 C101 115.7(9) . . ?
C103 C102 H102 122.2 . . ?
C101 C102 H102 122.2 . . ?
N14 C103 C102 120.8(8) . . ?
N14 C103 H103 119.6 . . ?
C102 C103 H103 119.6 . . ?
N16 C104 C105 113.7(7) . . ?
N16 C104 H10C 108.8 . . ?
C105 C104 H10C 108.8 . . ?
N16 C104 H10D 108.8 . . ?
C105 C104 H10D 108.8 . . ?
H10C C104 H10D 107.7 . . ?
N15 C105 C106 120.6(7) . . ?
N15 C105 C104 119.3(6) . . ?
C106 C105 C104 120.0(7) . . ?
C107 C106 C105 122.4(8) . . ?
C107 C106 H106 118.8 . . ?
C105 C106 H106 118.8 . . ?
C106 C107 C108 116.1(7) . . ?
C106 C107 H107 121.9 . . ?
C108 C107 H107 121.9 . . ?
C109 C108 C107 120.1(7) . . ?
C109 C108 H108 120.0 . . ?
C107 C108 H108 120.0 . . ?
C108 C109 N15 122.9(8) . . ?
C108 C109 H109 118.6 . . ?
N15 C109 H109 118.6 . . ?
O16 C110 C111 112.8(6) . . ?
O16 C110 H11C 109.0 . . ?
C111 C110 H11C 109.0 . . ?
O16 C110 H11D 109.0 . . ?
C111 C110 H11D 109.0 . . ?
H11C C110 H11D 107.8 . . ?
C112 C111 C116 118.9(7) . . ?
C112 C111 C110 117.4(6) . . ?
C116 C111 C110 123.7(7) . . ?
C113 C112 C111 120.3(7) . . ?
C113 C112 H112 119.9 . . ?
C111 C112 H112 119.9 . . ?
C112 C113 C114 121.6(8) . . ?
C112 C113 H113 119.2 . . ?
C114 C113 H113 119.2 . . ?
C113 C114 C115 119.2(8) . . ?
C113 C114 H114 120.4 . . ?
C115 C114 H114 120.4 . . ?
C116 C115 C114 119.5(8) . . ?
C116 C115 H115 120.3 . . ?
C114 C115 H115 120.3 . . ?
C111 C116 C115 120.3(8) . . ?
C111 C116 H116 119.8 . . ?
C115 C116 H116 119.8 . . ?
N20 C117 C118 113.3(6) . . ?
N20 C117 H11E 108.9 . . ?
C118 C117 H11E 108.9 . . ?
N20 C117 H11F 108.9 . . ?
C118 C117 H11F 108.9 . . ?
H11E C117 H11F 107.7 . . ?
N17 C118 C119 123.2(7) . . ?
N17 C118 C117 119.5(6) . . ?
C119 C118 C117 117.3(6) . . ?
C120 C119 C118 116.4(7) . . ?
C120 C119 H119 121.8 . . ?
C118 C119 H119 121.8 . . ?
C121 C120 C119 121.2(6) . . ?
C121 C120 H120 119.4 . . ?
C119 C120 H120 119.4 . . ?
C120 C121 C126 123.9(6) . . ?
C120 C121 C122 119.1(7) . . ?
C126 C121 C122 117.0(7) . . ?
N17 C122 C123 119.2(6) . . ?
N17 C122 C121 119.0(7) . . ?
C123 C122 C121 121.8(6) . . ?
O21 C123 C122 115.5(6) . . ?
O21 C123 C124 126.0(6) . . ?
C122 C123 C124 118.4(6) . . ?
C125 C124 C123 120.1(8) . . ?
C125 C124 H124 120.0 . . ?
C123 C124 H124 120.0 . . ?
C126 C125 C124 122.5(7) . . ?
C126 C125 H125 118.8 . . ?
C124 C125 H125 118.8 . . ?
C125 C126 C121 120.2(6) . . ?
C125 C126 H126 119.9 . . ?
C121 C126 H126 119.9 . . ?
N20 C127 C128 114.3(6) . . ?
N20 C127 H12A 108.7 . . ?
C128 C127 H12A 108.7 . . ?
N20 C127 H12B 108.7 . . ?
C128 C127 H12B 108.7 . . ?
H12A C127 H12B 107.6 . . ?
N18 C128 C129 123.8(7) . . ?
N18 C128 C127 115.8(7) . . ?
C129 C128 C127 120.3(7) . . ?
C128 C129 C130 120.1(7) . . ?
C128 C129 H129 120.0 . . ?
C130 C129 H129 120.0 . . ?
C131 C130 C129 118.3(8) . . ?
C131 C130 H130 120.9 . . ?
C129 C130 H130 120.9 . . ?
C130 C131 C132 118.8(8) . . ?
C130 C131 H131 120.6 . . ?
C132 C131 H131 120.6 . . ?
N18 C132 C131 122.7(8) . . ?
N18 C132 H132 118.6 . . ?
C131 C132 H132 118.6 . . ?
N20 C133 C134 110.2(6) . . ?
N20 C133 H13C 109.6 . . ?
C134 C133 H13C 109.6 . . ?
N20 C133 H13D 109.6 . . ?
C134 C133 H13D 109.6 . . ?
H13C C133 H13D 108.1 . . ?
N19 C134 C135 122.4(7) . . ?
N19 C134 C133 116.1(6) . . ?
C135 C134 C133 121.5(7) . . ?
C134 C135 C136 119.7(8) . . ?
C134 C135 H135 120.1 . . ?
C136 C135 H135 120.1 . . ?
C135 C136 C137 119.3(8) . . ?
C135 C136 H136 120.4 . . ?
C137 C136 H136 120.4 . . ?
C138 C137 C136 117.9(8) . . ?
C138 C137 H137 121.0 . . ?
C136 C137 H137 121.0 . . ?
N19 C138 C137 122.7(8) . . ?
N19 C138 H138 118.7 . . ?
C137 C138 H138 118.7 . . ?
O21 C139 C140 112.4(6) . . ?
O21 C139 H13A 109.1 . . ?
C140 C139 H13A 109.1 . . ?
O21 C139 H13B 109.1 . . ?
C140 C139 H13B 109.1 . . ?
H13A C139 H13B 107.9 . . ?
C141 C140 C145 119.0(7) . . ?
C141 C140 C139 122.0(6) . . ?
C145 C140 C139 119.0(6) . . ?
C140 C141 C142 120.5(7) . . ?
C140 C141 H141 119.8 . . ?
C142 C141 H141 119.8 . . ?
C143 C142 C141 119.6(7) . . ?
C143 C142 H142 120.2 . . ?
C141 C142 H142 120.2 . . ?
C144 C143 C142 120.3(7) . . ?
C144 C143 H143 119.9 . . ?
C142 C143 H143 119.9 . . ?
C143 C144 C145 119.4(7) . . ?
C143 C144 H144 120.3 . . ?
C145 C144 H144 120.3 . . ?
C140 C145 C144 121.2(7) . . ?
C140 C145 H145 119.4 . . ?
C144 C145 H145 119.4 . . ?
N24 C146 C147 114.7(6) . . ?
N24 C146 H14A 108.6 . . ?
C147 C146 H14A 108.6 . . ?
N24 C146 H14B 108.6 . . ?
C147 C146 H14B 108.6 . . ?
H14A C146 H14B 107.6 . . ?
N21 C147 C148 120.4(6) . . ?
N21 C147 C146 117.1(6) . . ?
C148 C147 C146 122.3(6) . . ?
C149 C148 C147 121.9(7) . . ?
C149 C148 H148 119.0 . . ?
C147 C148 H148 119.0 . . ?
C148 C149 C150 119.3(7) . . ?
C148 C149 H149 120.4 . . ?
C150 C149 H149 120.4 . . ?
C155 C150 C151 118.7(7) . . ?
C155 C150 C149 124.8(7) . . ?
C151 C150 C149 116.4(6) . . ?
N21 C151 C152 118.7(6) . . ?
N21 C151 C150 122.5(6) . . ?
C152 C151 C150 118.8(6) . . ?
O26 C152 C153 123.5(6) . . ?
O26 C152 C151 114.2(6) . . ?
C153 C152 C151 122.3(6) . . ?
C152 C153 C154 117.2(7) . . ?
C152 C153 H153 121.4 . . ?
C154 C153 H153 121.4 . . ?
C155 C154 C153 121.2(7) . . ?
C155 C154 H154 119.4 . . ?
C153 C154 H154 119.4 . . ?
C154 C155 C150 121.6(7) . . ?
C154 C155 H155 119.2 . . ?
C150 C155 H155 119.2 . . ?
N24 C156 C157 113.6(6) . . ?
N24 C156 H15A 108.9 . . ?
C157 C156 H15A 108.9 . . ?
N24 C156 H15B 108.9 . . ?
C157 C156 H15B 108.9 . . ?
H15A C156 H15B 107.7 . . ?
N22 C157 C158 119.7(7) . . ?
N22 C157 C156 120.4(7) . . ?
C158 C157 C156 119.8(6) . . ?
C159 C158 C157 118.5(7) . . ?
C159 C158 H158 120.8 . . ?
C157 C158 H158 120.8 . . ?
C158 C159 C160 120.1(7) . . ?
C158 C159 H159 120.0 . . ?
C160 C159 H159 120.0 . . ?
C161 C160 C159 117.9(7) . . ?
C161 C160 H160 121.0 . . ?
C159 C160 H160 121.0 . . ?
N22 C161 C160 122.4(7) . . ?
N22 C161 H161 118.8 . . ?
C160 C161 H161 118.8 . . ?
N24 C162 C163 109.9(6) . . ?
N24 C162 H16C 109.7 . . ?
C163 C162 H16C 109.7 . . ?
N24 C162 H16D 109.7 . . ?
C163 C162 H16D 109.7 . . ?
H16C C162 H16D 108.2 . . ?
N23 C163 C164 121.8(7) . . ?
N23 C163 C162 115.5(6) . . ?
C164 C163 C162 122.4(7) . . ?
C165 C164 C163 119.9(9) . . ?
C165 C164 H164 120.0 . . ?
C163 C164 H164 120.0 . . ?
C164 C165 C166 117.9(8) . . ?
C164 C165 H165 121.1 . . ?
C166 C165 H165 121.1 . . ?
C165 C166 C167 120.8(9) . . ?
C165 C166 H166 119.6 . . ?
C167 C166 H166 119.6 . . ?
N23 C167 C166 120.6(9) . . ?
N23 C167 H167 119.7 . . ?
C166 C167 H167 119.7 . . ?
O26 C168 C169 110.2(6) . . ?
O26 C168 H16A 109.6 . . ?
C169 C168 H16A 109.6 . . ?
O26 C168 H16B 109.6 . . ?
C169 C168 H16B 109.6 . . ?
H16A C168 H16B 108.1 . . ?
C174 C169 C170 120.7(7) . . ?
C174 C169 C168 116.8(7) . . ?
C170 C169 C168 122.3(6) . . ?
C171 C170 C169 118.6(7) . . ?
C171 C170 H170 120.7 . . ?
C169 C170 H170 120.7 . . ?
C172 C171 C170 119.9(7) . . ?
C172 C171 H171 120.1 . . ?
C170 C171 H171 120.1 . . ?
C173 C172 C171 121.0(7) . . ?
C173 C172 H172 119.5 . . ?
C171 C172 H172 119.5 . . ?
C172 C173 C174 119.0(8) . . ?
C172 C173 H173 120.5 . . ?
C174 C173 H173 120.5 . . ?
C169 C174 C173 120.9(8) . . ?
C169 C174 H174 119.6 . . ?
C173 C174 H174 119.6 . . ?
O5 Cl1 O3 110.7(3) . . ?
O5 Cl1 O4 111.8(3) . . ?
O3 Cl1 O4 110.0(3) . . ?
O5 Cl1 O2 107.9(3) . . ?
O3 Cl1 O2 107.8(3) . . ?
O4 Cl1 O2 108.6(3) . . ?
O9 Cl2 O10 110.6(4) . . ?
O9 Cl2 O8 110.1(4) . . ?
O10 Cl2 O8 111.3(3) . . ?
O9 Cl2 O7 108.7(3) . . ?
O10 Cl2 O7 108.0(3) . . ?
O8 Cl2 O7 108.2(3) . . ?
O14 Cl3 O13 109.7(3) . . ?
O14 Cl3 O12 111.4(3) . . ?
O13 Cl3 O12 110.9(3) . . ?
O14 Cl3 O15 109.6(3) . . ?
O13 Cl3 O15 107.2(3) . . ?
O12 Cl3 O15 107.9(3) . . ?
O18 Cl4 O19 110.3(3) . . ?
O18 Cl4 O20 110.8(3) . . ?
O19 Cl4 O20 111.2(3) . . ?
O18 Cl4 O17 108.1(3) . . ?
O19 Cl4 O17 108.3(3) . . ?
O20 Cl4 O17 108.1(3) . . ?
O25 Cl5 O24 111.3(3) . . ?
O25 Cl5 O23 111.3(3) . . ?
O24 Cl5 O23 111.0(3) . . ?
O25 Cl5 O22 107.8(3) . . ?
O24 Cl5 O22 107.9(3) . . ?
O23 Cl5 O22 107.4(3) . . ?
O28 Cl6 O29 111.0(3) . . ?
O28 Cl6 O30 109.8(3) . . ?
O29 Cl6 O30 110.3(3) . . ?
O28 Cl6 O27 108.9(3) . . ?
O29 Cl6 O27 108.4(3) . . ?
O30 Cl6 O27 108.4(3) . . ?
O37 Cl7 O36 109.0(6) . . ?
O37 Cl7 O35 108.0(8) . . ?
O36 Cl7 O35 108.3(5) . . ?
O37 Cl7 O38 112.8(6) . . ?
O36 Cl7 O38 113.9(4) . . ?
O35 Cl7 O38 104.4(5) . . ?
O34 Cl8 O32 108.2(10) . . ?
O34 Cl8 O31 106.9(8) . . ?
O32 Cl8 O31 104.3(7) . . ?
O34 Cl8 O33 113.2(6) . . ?
O32 Cl8 O33 106.8(5) . . ?
O31 Cl8 O33 116.8(4) . . ?
O41 Cl9 O40 105.5(5) . . ?
O41 Cl9 O42 110.2(5) . . ?
O40 Cl9 O42 112.5(4) . . ?
O41 Cl9 O39 105.3(6) . . ?
O40 Cl9 O39 112.2(5) . . ?
O42 Cl9 O39 110.8(5) . . ?
O43 Cl10 O45 104.8(6) . . ?
O43 Cl10 O46 112.8(5) . . ?
O45 Cl10 O46 108.5(5) . . ?
O43 Cl10 O44 109.8(4) . . ?
O45 Cl10 O44 110.7(5) . . ?
O46 Cl10 O44 110.1(4) . . ?
O47 Cl11 O50 110.5(4) . . ?
O47 Cl11 O48 109.8(4) . . ?
O50 Cl11 O48 109.3(3) . . ?
O47 Cl11 O49 111.1(5) . . ?
O50 Cl11 O49 107.3(4) . . ?
O48 Cl11 O49 108.7(3) . . ?
O54 Cl12 O51 108.9(4) . . ?
O54 Cl12 O52 109.5(4) . . ?
O51 Cl12 O52 108.4(4) . . ?
O54 Cl12 O53 109.9(4) . . ?
O51 Cl12 O53 107.2(5) . . ?
O52 Cl12 O53 112.8(4) . . ?
C9 N1 C6 116.4(6) . . ?
C9 N1 Zn1 117.6(5) . . ?
C6 N1 Zn1 125.7(5) . . ?
C18 N2 C22 118.9(7) . . ?
C18 N2 Zn1 116.0(5) . . ?
C22 N2 Zn1 125.1(5) . . ?
C16 N3 C12 118.6(7) . . ?
C16 N3 Zn1 128.4(5) . . ?
C12 N3 Zn1 112.9(5) . . ?
C10 N4 C17 112.8(7) . . ?
C10 N4 C11 112.1(6) . . ?
C17 N4 C11 115.3(7) . . ?
C10 N4 Zn1 106.1(5) . . ?
C17 N4 Zn1 107.1(5) . . ?
C11 N4 Zn1 102.3(5) . . ?
C38 N5 C35 121.5(6) . . ?
C38 N5 Zn2 113.9(5) . . ?
C35 N5 Zn2 124.5(5) . . ?
C45 N6 C41 118.2(6) . . ?
C45 N6 Zn2 125.9(5) . . ?
C41 N6 Zn2 115.8(5) . . ?
C47 N7 C51 117.8(7) . . ?
C47 N7 Zn2 115.7(5) . . ?
C51 N7 Zn2 126.4(5) . . ?
C40 N8 C46 112.2(6) . . ?
C40 N8 C39 111.7(6) . . ?
C46 N8 C39 111.0(6) . . ?
C40 N8 Zn2 110.3(4) . . ?
C46 N8 Zn2 104.4(4) . . ?
C39 N8 Zn2 106.9(4) . . ?
C64 N9 C60 118.9(6) . . ?
C64 N9 Zn3 126.6(5) . . ?
C60 N9 Zn3 114.5(5) . . ?
C74 N10 C70 120.1(6) . . ?
C74 N10 Zn3 124.8(5) . . ?
C70 N10 Zn3 114.9(5) . . ?
C80 N11 C76 119.0(6) . . ?
C80 N11 Zn3 125.5(5) . . ?
C76 N11 Zn3 115.2(5) . . ?
C75 N12 C69 112.6(6) . . ?
C75 N12 C59 109.9(5) . . ?
C69 N12 C59 113.6(6) . . ?
C75 N12 Zn3 105.2(4) . . ?
C69 N12 Zn3 110.3(4) . . ?
C59 N12 Zn3 104.6(4) . . ?
C89 N13 C93 117.7(6) . . ?
C89 N13 Zn4 116.4(4) . . ?
C93 N13 Zn4 125.8(4) . . ?
C103 N14 C99 120.9(6) . . ?
C103 N14 Zn4 126.5(5) . . ?
C99 N14 Zn4 112.6(5) . . ?
C105 N15 C109 117.8(6) . . ?
C105 N15 Zn4 116.9(5) . . ?
C109 N15 Zn4 125.3(5) . . ?
C98 N16 C88 111.6(6) . . ?
C98 N16 C104 114.6(6) . . ?
C88 N16 C104 111.5(6) . . ?
C98 N16 Zn4 103.8(4) . . ?
C88 N16 Zn4 107.0(4) . . ?
C104 N16 Zn4 107.5(5) . . ?
C118 N17 C122 120.9(6) . . ?
C118 N17 Zn5 113.7(5) . . ?
C122 N17 Zn5 125.0(4) . . ?
C128 N18 C132 116.2(7) . . ?
C128 N18 Zn5 118.1(5) . . ?
C132 N18 Zn5 124.9(5) . . ?
C134 N19 C138 117.9(6) . . ?
C134 N19 Zn5 115.5(5) . . ?
C138 N19 Zn5 126.6(5) . . ?
C133 N20 C127 115.0(6) . . ?
C133 N20 C117 110.7(6) . . ?
C127 N20 C117 111.7(6) . . ?
C133 N20 Zn5 105.0(4) . . ?
C127 N20 Zn5 108.8(4) . . ?
C117 N20 Zn5 105.0(4) . . ?
C147 N21 C151 119.3(6) . . ?
C147 N21 Zn6 115.1(4) . . ?
C151 N21 Zn6 125.5(4) . . ?
C161 N22 C157 121.3(7) . . ?
C161 N22 Zn6 124.2(5) . . ?
C157 N22 Zn6 114.0(5) . . ?
C167 N23 C163 118.9(7) . . ?
C167 N23 Zn6 125.3(6) . . ?
C163 N23 Zn6 115.7(5) . . ?
C162 N24 C146 110.3(6) . . ?
C162 N24 C156 112.1(6) . . ?
C146 N24 C156 112.9(6) . . ?
C162 N24 Zn6 106.6(4) . . ?
C146 N24 Zn6 105.5(4) . . ?
C156 N24 Zn6 109.0(4) . . ?
C1 O1 C23 118.0(5) . . ?
Cl1 O2 Zn1 125.4(3) . . ?
C30 O6 C52 118.5(5) . . ?
Cl2 O7 Zn2 123.2(3) . . ?
C65 O11 C81 116.2(5) . . ?
Cl3 O15 Zn3 121.0(3) . . ?
C94 O16 C110 116.0(5) . . ?
Cl4 O17 Zn4 121.1(3) . . ?
C123 O21 C139 119.5(5) . . ?
Cl5 O22 Zn5 121.4(3) . . ?
C152 O26 C168 119.2(5) . . ?
Cl6 O27 Zn6 119.0(3) . . ?
N1 Zn1 N2 109.2(2) . . ?
N1 Zn1 N3 100.7(2) . . ?
N2 Zn1 N3 139.7(2) . . ?
N1 Zn1 O2 139.7(2) . . ?
N2 Zn1 O2 87.9(2) . . ?
N3 Zn1 O2 86.2(2) . . ?
N1 Zn1 N4 80.2(2) . . ?
N2 Zn1 N4 80.7(2) . . ?
N3 Zn1 N4 78.5(3) . . ?
O2 Zn1 N4 139.7(2) . . ?
N6 Zn2 N7 136.0(2) . . ?
N6 Zn2 N5 108.6(2) . . ?
N7 Zn2 N5 104.6(2) . . ?
N6 Zn2 O7 88.1(2) . . ?
N7 Zn2 O7 85.4(2) . . ?
N5 Zn2 O7 138.7(2) . . ?
N6 Zn2 N8 80.5(2) . . ?
N7 Zn2 N8 78.0(2) . . ?
N5 Zn2 N8 79.6(2) . . ?
O7 Zn2 N8 141.42(19) . . ?
N10 Zn3 N9 98.2(2) . . ?
N10 Zn3 N11 148.6(2) . . ?
N9 Zn3 N11 101.1(2) . . ?
N10 Zn3 O15 89.8(2) . . ?
N9 Zn3 O15 140.9(2) . . ?
N11 Zn3 O15 90.6(2) . . ?
N10 Zn3 N12 80.9(2) . . ?
N9 Zn3 N12 81.9(2) . . ?
N11 Zn3 N12 77.7(2) . . ?
O15 Zn3 N12 137.28(19) . . ?
N15 Zn4 N13 106.1(2) . . ?
N15 Zn4 N14 140.0(2) . . ?
N13 Zn4 N14 104.2(2) . . ?
N15 Zn4 O17 88.9(2) . . ?
N13 Zn4 O17 139.2(2) . . ?
N14 Zn4 O17 85.0(2) . . ?
N15 Zn4 N16 81.1(2) . . ?
N13 Zn4 N16 79.6(2) . . ?
N14 Zn4 N16 79.2(2) . . ?
O17 Zn4 N16 141.0(2) . . ?
N18 Zn5 N17 95.9(2) . . ?
N18 Zn5 N19 149.9(2) . . ?
N17 Zn5 N19 101.9(2) . . ?
N18 Zn5 O22 90.5(2) . . ?
N17 Zn5 O22 142.0(2) . . ?
N19 Zn5 O22 90.1(2) . . ?
N18 Zn5 N20 80.6(2) . . ?
N17 Zn5 N20 82.3(2) . . ?
N19 Zn5 N20 78.0(2) . . ?
O22 Zn5 N20 135.65(19) . . ?
N22 Zn6 N23 145.7(2) . . ?
N22 Zn6 N21 98.7(2) . . ?
N23 Zn6 N21 105.1(2) . . ?
N22 Zn6 O27 89.8(2) . . ?
N23 Zn6 O27 87.1(2) . . ?
N21 Zn6 O27 141.0(2) . . ?
N22 Zn6 N24 81.8(2) . . ?
N23 Zn6 N24 78.2(2) . . ?
N21 Zn6 N24 80.4(2) . . ?
O27 Zn6 N24 138.59(19) . . ?
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
C1 O1 1.361(8) . ?
C1 C2 1.391(10) . ?
C1 C6 1.415(10) . ?
C2 C3 1.433(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.332(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.417(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.422(10) . ?
C5 C7 1.432(10) . ?
C6 N1 1.388(9) . ?
C7 C8 1.379(11) . ?
C7 H7 0.9500 . ?
C8 C9 1.378(10) . ?
C8 H8 0.9500 . ?
C9 N1 1.335(9) . ?
C9 C10 1.546(10) . ?
C10 N4 1.464(9) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.483(12) . ?
C11 N4 1.489(11) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 N3 1.386(9) . ?
C12 C13 1.387(11) . ?
C13 C14 1.328(12) . ?
C13 H13 0.9500 . ?
C14 C15 1.391(12) . ?
C14 H14 0.9500 . ?
C15 C16 1.381(11) . ?
C15 H15 0.9500 . ?
C16 N3 1.363(10) . ?
C16 H16 0.9500 . ?
C17 N4 1.471(10) . ?
C17 C18 1.491(11) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 N2 1.323(9) . ?
C18 C19 1.378(11) . ?
C19 C20 1.357(11) . ?
C19 H19 0.9500 . ?
C20 C21 1.418(11) . ?
C20 H20 0.9500 . ?
C21 C22 1.359(11) . ?
C21 H21 0.9500 . ?
C22 N2 1.350(9) . ?
C22 H22 0.9500 . ?
C23 O1 1.488(8) . ?
C23 C24 1.503(10) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.405(10) . ?
C24 C29 1.409(10) . ?
C25 C26 1.393(11) . ?
C25 H25 0.9500 . ?
C26 C27 1.375(11) . ?
C26 H26 0.9500 . ?
C27 C28 1.351(11) . ?
C27 H27 0.9500 . ?
C28 C29 1.403(10) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C31 1.382(9) . ?
C30 O6 1.381(8) . ?
C30 C35 1.412(10) . ?
C31 C32 1.389(10) . ?
C31 H31 0.9500 . ?
C32 C33 1.368(11) . ?
C32 H32 0.9500 . ?
C33 C34 1.397(10) . ?
C33 H33 0.9500 . ?
C34 C36 1.400(10) . ?
C34 C35 1.431(9) . ?
C35 N5 1.361(9) . ?
C36 C37 1.352(10) . ?
C36 H36 0.9500 . ?
C37 C38 1.430(9) . ?
C37 H37 0.9500 . ?
C38 N5 1.351(9) . ?
C38 C39 1.472(11) . ?
C39 N8 1.495(9) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 N8 1.469(9) . ?
C40 C41 1.523(10) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.373(11) . ?
C41 N6 1.381(9) . ?
C42 C43 1.397(12) . ?
C42 H42 0.9500 . ?
C43 C44 1.344(11) . ?
C43 H43 0.9500 . ?
C44 C45 1.376(10) . ?
C44 H44 0.9500 . ?
C45 N6 1.341(9) . ?
C45 H45 0.9500 . ?
C46 N8 1.473(9) . ?
C46 C47 1.526(11) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 N7 1.324(10) . ?
C47 C48 1.392(10) . ?
C48 C49 1.418(12) . ?
C48 H48 0.9500 . ?
C49 C50 1.357(11) . ?
C49 H49 0.9500 . ?
C50 C51 1.380(11) . ?
C50 H50 0.9500 . ?
C51 N7 1.337(9) . ?
C51 H51 0.9500 . ?
C52 O6 1.424(8) . ?
C52 C53 1.516(10) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C58 1.369(10) . ?
C53 C54 1.384(9) . ?
C54 C55 1.386(10) . ?
C54 H54 0.9500 . ?
C55 C56 1.388(11) . ?
C55 H55 0.9500 . ?
C56 C57 1.379(11) . ?
C56 H56 0.9500 . ?
C57 C58 1.403(10) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59 C60 1.503(10) . ?
C59 N12 1.505(8) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 N9 1.362(9) . ?
C60 C61 1.389(10) . ?
C61 C62 1.346(11) . ?
C61 H61 0.9500 . ?
C62 C63 1.421(10) . ?
C62 H62 0.9500 . ?
C63 C64 1.417(9) . ?
C63 C68 1.421(10) . ?
C64 N9 1.348(9) . ?
C64 C65 1.438(10) . ?
C65 C66 1.358(9) . ?
C65 O11 1.387(8) . ?
C66 C67 1.440(9) . ?
C66 H66 0.9500 . ?
C67 C68 1.391(10) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C70 1.484(10) . ?
C69 N12 1.489(9) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 N10 1.374(9) . ?
C70 C71 1.446(10) . ?
C71 C72 1.386(11) . ?
C71 H71 0.9500 . ?
C72 C73 1.387(11) . ?
C72 H72 0.9500 . ?
C73 C74 1.390(10) . ?
C73 H73 0.9500 . ?
C74 N10 1.359(9) . ?
C74 H74 0.9500 . ?
C75 N12 1.488(9) . ?
C75 C76 1.507(10) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 N11 1.354(9) . ?
C76 C77 1.385(11) . ?
C77 C78 1.395(11) . ?
C77 H77 0.9500 . ?
C78 C79 1.355(11) . ?
C78 H78 0.9500 . ?
C79 C80 1.396(11) . ?
C79 H79 0.9500 . ?
C80 N11 1.336(9) . ?
C80 H80 0.9500 . ?
C81 O11 1.456(8) . ?
C81 C82 1.508(10) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C87 1.398(10) . ?
C82 C83 1.399(10) . ?
C83 C84 1.362(11) . ?
C83 H83 0.9500 . ?
C84 C85 1.400(11) . ?
C84 H84 0.9500 . ?
C85 C86 1.390(11) . ?
C85 H85 0.9500 . ?
C86 C87 1.389(11) . ?
C86 H86 0.9500 . ?
C87 H87 0.9500 . ?
C88 N16 1.478(8) . ?
C88 C89 1.524(10) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 N13 1.322(9) . ?
C89 C90 1.401(10) . ?
C90 C91 1.375(10) . ?
C90 H90 0.9500 . ?
C91 C92 1.404(10) . ?
C91 H91 0.9500 . ?
C92 C93 1.408(9) . ?
C92 C97 1.418(10) . ?
C93 N13 1.365(8) . ?
C93 C94 1.435(10) . ?
C94 C95 1.344(9) . ?
C94 O16 1.378(7) . ?
C95 C96 1.421(9) . ?
C95 H95 0.9500 . ?
C96 C97 1.377(11) . ?
C96 H96 0.9500 . ?
C97 H97 0.9500 . ?
C98 N16 1.459(9) . ?
C98 C99 1.506(11) . ?
C98 H98A 0.9900 . ?
C98 H98B 0.9900 . ?
C99 N14 1.368(9) . ?
C99 C100 1.400(10) . ?
C100 C101 1.315(12) . ?
C100 H100 0.9500 . ?
C101 C102 1.434(13) . ?
C101 H101 0.9500 . ?
C102 C103 1.389(11) . ?
C102 H102 0.9500 . ?
C103 N14 1.354(9) . ?
C103 H103 0.9500 . ?
C104 N16 1.487(10) . ?
C104 C105 1.491(11) . ?
C104 H10C 0.9900 . ?
C104 H10D 0.9900 . ?
C105 N15 1.344(9) . ?
C105 C106 1.399(10) . ?
C106 C107 1.372(11) . ?
C106 H106 0.9500 . ?
C107 C108 1.408(11) . ?
C107 H107 0.9500 . ?
C108 C109 1.368(11) . ?
C108 H108 0.9500 . ?
C109 N15 1.372(9) . ?
C109 H109 0.9500 . ?
C110 O16 1.473(8) . ?
C110 C111 1.496(10) . ?
C110 H11C 0.9900 . ?
C110 H11D 0.9900 . ?
C111 C112 1.392(10) . ?
C111 C116 1.392(10) . ?
C112 C113 1.367(11) . ?
C112 H112 0.9500 . ?
C113 C114 1.368(12) . ?
C113 H113 0.9500 . ?
C114 C115 1.401(11) . ?
C114 H114 0.9500 . ?
C115 C116 1.393(11) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C117 N20 1.484(8) . ?
C117 C118 1.527(10) . ?
C117 H11E 0.9900 . ?
C117 H11F 0.9900 . ?
C118 N17 1.303(9) . ?
C118 C119 1.433(9) . ?
C119 C120 1.396(10) . ?
C119 H119 0.9500 . ?
C120 C121 1.384(10) . ?
C120 H120 0.9500 . ?
C121 C126 1.425(10) . ?
C121 C122 1.428(9) . ?
C122 N17 1.386(9) . ?
C122 C123 1.388(10) . ?
C123 O21 1.372(7) . ?
C123 C124 1.395(9) . ?
C124 C125 1.390(10) . ?
C124 H124 0.9500 . ?
C125 C126 1.340(11) . ?
C125 H125 0.9500 . ?
C126 H126 0.9500 . ?
C127 N20 1.479(9) . ?
C127 C128 1.525(10) . ?
C127 H12A 0.9900 . ?
C127 H12B 0.9900 . ?
C128 N18 1.338(9) . ?
C128 C129 1.341(10) . ?
C129 C130 1.385(11) . ?
C129 H129 0.9500 . ?
C130 C131 1.371(11) . ?
C130 H130 0.9500 . ?
C131 C132 1.378(11) . ?
C131 H131 0.9500 . ?
C132 N18 1.371(9) . ?
C132 H132 0.9500 . ?
C133 N20 1.472(8) . ?
C133 C134 1.505(10) . ?
C133 H13C 0.9900 . ?
C133 H13D 0.9900 . ?
C134 N19 1.332(9) . ?
C134 C135 1.372(10) . ?
C135 C136 1.376(11) . ?
C135 H135 0.9500 . ?
C136 C137 1.386(12) . ?
C136 H136 0.9500 . ?
C137 C138 1.382(10) . ?
C137 H137 0.9500 . ?
C138 N19 1.364(9) . ?
C138 H138 0.9500 . ?
C139 O21 1.472(8) . ?
C139 C140 1.494(10) . ?
C139 H13A 0.9900 . ?
C139 H13B 0.9900 . ?
C140 C141 1.384(10) . ?
C140 C145 1.393(9) . ?
C141 C142 1.403(10) . ?
C141 H141 0.9500 . ?
C142 C143 1.403(10) . ?
C142 H142 0.9500 . ?
C143 C144 1.374(10) . ?
C143 H143 0.9500 . ?
C144 C145 1.404(10) . ?
C144 H144 0.9500 . ?
C145 H145 0.9500 . ?
C146 N24 1.481(8) . ?
C146 C147 1.482(9) . ?
C146 H14A 0.9900 . ?
C146 H14B 0.9900 . ?
C147 N21 1.331(8) . ?
C147 C148 1.419(9) . ?
C148 C149 1.343(10) . ?
C148 H148 0.9500 . ?
C149 C150 1.432(10) . ?
C149 H149 0.9500 . ?
C150 C155 1.414(10) . ?
C150 C151 1.420(9) . ?
C151 N21 1.379(8) . ?
C151 C152 1.418(9) . ?
C152 O26 1.379(8) . ?
C152 C153 1.389(10) . ?
C153 C154 1.442(10) . ?
C153 H153 0.9500 . ?
C154 C155 1.354(11) . ?
C154 H154 0.9500 . ?
C155 H155 0.9500 . ?
C156 N24 1.488(9) . ?
C156 C157 1.497(10) . ?
C156 H15A 0.9900 . ?
C156 H15B 0.9900 . ?
C157 N22 1.355(9) . ?
C157 C158 1.415(10) . ?
C158 C159 1.388(10) . ?
C158 H158 0.9500 . ?
C159 C160 1.401(11) . ?
C159 H159 0.9500 . ?
C160 C161 1.381(10) . ?
C160 H160 0.9500 . ?
C161 N22 1.322(9) . ?
C161 H161 0.9500 . ?
C162 N24 1.449(9) . ?
C162 C163 1.522(10) . ?
C162 H16C 0.9900 . ?
C162 H16D 0.9900 . ?
C163 N23 1.343(9) . ?
C163 C164 1.379(11) . ?
C164 C165 1.340(12) . ?
C164 H164 0.9500 . ?
C165 C166 1.377(13) . ?
C165 H165 0.9500 . ?
C166 C167 1.377(12) . ?
C166 H166 0.9500 . ?
C167 N23 1.321(10) . ?
C167 H167 0.9500 . ?
C168 O26 1.454(8) . ?
C168 C169 1.528(10) . ?
C168 H16A 0.9900 . ?
C168 H16B 0.9900 . ?
C169 C174 1.338(10) . ?
C169 C170 1.408(10) . ?
C170 C171 1.394(10) . ?
C170 H170 0.9500 . ?
C171 C172 1.377(10) . ?
C171 H171 0.9500 . ?
C172 C173 1.371(11) . ?
C172 H172 0.9500 . ?
C173 C174 1.403(11) . ?
C173 H173 0.9500 . ?
C174 H174 0.9500 . ?
Cl1 O5 1.428(5) . ?
Cl1 O3 1.435(5) . ?
Cl1 O4 1.441(5) . ?
Cl1 O2 1.459(5) . ?
Cl2 O9 1.414(6) . ?
Cl2 O10 1.436(5) . ?
Cl2 O8 1.446(5) . ?
Cl2 O7 1.471(4) . ?
Cl3 O14 1.431(5) . ?
Cl3 O13 1.433(5) . ?
Cl3 O12 1.457(5) . ?
Cl3 O15 1.478(4) . ?
Cl4 O18 1.423(5) . ?
Cl4 O19 1.433(6) . ?
Cl4 O20 1.440(5) . ?
Cl4 O17 1.473(4) . ?
Cl5 O25 1.431(5) . ?
Cl5 O24 1.432(5) . ?
Cl5 O23 1.435(5) . ?
Cl5 O22 1.472(5) . ?
Cl6 O28 1.418(5) . ?
Cl6 O29 1.448(5) . ?
Cl6 O30 1.453(5) . ?
Cl6 O27 1.461(4) . ?
Cl7 O37 1.317(8) . ?
Cl7 O36 1.366(6) . ?
Cl7 O35 1.392(6) . ?
Cl7 O38 1.417(7) . ?
Cl8 O34 1.282(10) . ?
Cl8 O32 1.361(7) . ?
Cl8 O31 1.381(8) . ?
Cl8 O33 1.413(6) . ?
Cl9 O41 1.401(6) . ?
Cl9 O40 1.412(6) . ?
Cl9 O42 1.423(6) . ?
Cl9 O39 1.455(7) . ?
Cl10 O43 1.388(7) . ?
Cl10 O45 1.426(7) . ?
Cl10 O46 1.429(5) . ?
Cl10 O44 1.434(6) . ?
Cl11 O47 1.407(6) . ?
Cl11 O50 1.412(5) . ?
Cl11 O48 1.434(5) . ?
Cl11 O49 1.446(6) . ?
Cl12 O54 1.403(6) . ?
Cl12 O51 1.419(6) . ?
Cl12 O52 1.437(5) . ?
Cl12 O53 1.439(7) . ?
N1 Zn1 2.043(6) . ?
N2 Zn1 2.055(6) . ?
N3 Zn1 2.093(6) . ?
N4 Zn1 2.222(6) . ?
N5 Zn2 2.104(5) . ?
N6 Zn2 2.062(6) . ?
N7 Zn2 2.075(6) . ?
N8 Zn2 2.205(6) . ?
N9 Zn3 2.081(6) . ?
N10 Zn3 2.060(6) . ?
N11 Zn3 2.098(6) . ?
N12 Zn3 2.203(6) . ?
N13 Zn4 2.075(5) . ?
N14 Zn4 2.095(6) . ?
N15 Zn4 2.018(6) . ?
N16 Zn4 2.231(6) . ?
N17 Zn5 2.077(5) . ?
N18 Zn5 2.045(6) . ?
N19 Zn5 2.093(6) . ?
N20 Zn5 2.201(6) . ?
N21 Zn6 2.099(6) . ?
N22 Zn6 2.073(6) . ?
N23 Zn6 2.087(6) . ?
N24 Zn6 2.200(6) . ?
O2 Zn1 2.184(5) . ?
O7 Zn2 2.203(5) . ?
O15 Zn3 2.145(5) . ?
O17 Zn4 2.206(5) . ?
O22 Zn5 2.146(4) . ?
O27 Zn6 2.172(5) . ?
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
O1 C1 C2 C3 179.1(7) . . . . ?
C6 C1 C2 C3 2.7(11) . . . . ?
C1 C2 C3 C4 -2.5(12) . . . . ?
C2 C3 C4 C5 1.1(12) . . . . ?
C3 C4 C5 C6 -0.2(11) . . . . ?
C3 C4 C5 C7 -177.9(7) . . . . ?
O1 C1 C6 N1 2.7(9) . . . . ?
C2 C1 C6 N1 179.4(6) . . . . ?
O1 C1 C6 C5 -178.5(6) . . . . ?
C2 C1 C6 C5 -1.7(10) . . . . ?
C4 C5 C6 N1 179.3(6) . . . . ?
C7 C5 C6 N1 -2.9(10) . . . . ?
C4 C5 C6 C1 0.5(10) . . . . ?
C7 C5 C6 C1 178.3(6) . . . . ?
C4 C5 C7 C8 179.2(7) . . . . ?
C6 C5 C7 C8 1.4(10) . . . . ?
C5 C7 C8 C9 -0.1(11) . . . . ?
C7 C8 C9 N1 0.0(12) . . . . ?
C7 C8 C9 C10 176.6(7) . . . . ?
N1 C9 C10 N4 -26.2(9) . . . . ?
C8 C9 C10 N4 156.9(7) . . . . ?
N4 C11 C12 N3 -36.6(9) . . . . ?
N4 C11 C12 C13 142.8(7) . . . . ?
N3 C12 C13 C14 0.1(11) . . . . ?
C11 C12 C13 C14 -179.4(7) . . . . ?
C12 C13 C14 C15 -0.9(12) . . . . ?
C13 C14 C15 C16 1.2(12) . . . . ?
C14 C15 C16 N3 -0.8(12) . . . . ?
N4 C17 C18 N2 -18.8(10) . . . . ?
N4 C17 C18 C19 166.2(7) . . . . ?
N2 C18 C19 C20 -2.1(11) . . . . ?
C17 C18 C19 C20 172.8(7) . . . . ?
C18 C19 C20 C21 2.6(11) . . . . ?
C19 C20 C21 C22 -2.4(11) . . . . ?
C20 C21 C22 N2 1.9(11) . . . . ?
O1 C23 C24 C25 -121.5(7) . . . . ?
O1 C23 C24 C29 62.7(9) . . . . ?
C29 C24 C25 C26 -0.5(11) . . . . ?
C23 C24 C25 C26 -176.5(7) . . . . ?
C24 C25 C26 C27 0.0(11) . . . . ?
C25 C26 C27 C28 -0.6(11) . . . . ?
C26 C27 C28 C29 1.5(11) . . . . ?
C27 C28 C29 C24 -2.0(11) . . . . ?
C25 C24 C29 C28 1.5(10) . . . . ?
C23 C24 C29 C28 177.4(6) . . . . ?
O6 C30 C31 C32 179.5(7) . . . . ?
C35 C30 C31 C32 1.0(11) . . . . ?
C30 C31 C32 C33 0.8(11) . . . . ?
C31 C32 C33 C34 -1.5(11) . . . . ?
C32 C33 C34 C36 179.5(7) . . . . ?
C32 C33 C34 C35 0.5(10) . . . . ?
C31 C30 C35 N5 177.8(7) . . . . ?
O6 C30 C35 N5 -0.9(9) . . . . ?
C31 C30 C35 C34 -2.0(11) . . . . ?
O6 C30 C35 C34 179.3(6) . . . . ?
C33 C34 C35 N5 -178.6(6) . . . . ?
C36 C34 C35 N5 2.3(10) . . . . ?
C33 C34 C35 C30 1.3(10) . . . . ?
C36 C34 C35 C30 -177.9(6) . . . . ?
C33 C34 C36 C37 -179.3(7) . . . . ?
C35 C34 C36 C37 -0.3(11) . . . . ?
C34 C36 C37 C38 -2.5(11) . . . . ?
C36 C37 C38 N5 3.3(11) . . . . ?
C36 C37 C38 C39 -172.4(7) . . . . ?
N5 C38 C39 N8 24.5(10) . . . . ?
C37 C38 C39 N8 -159.9(7) . . . . ?
N8 C40 C41 C42 -164.6(7) . . . . ?
N8 C40 C41 N6 19.9(10) . . . . ?
N6 C41 C42 C43 3.4(11) . . . . ?
C40 C41 C42 C43 -171.9(7) . . . . ?
C41 C42 C43 C44 -2.3(11) . . . . ?
C42 C43 C44 C45 -0.8(11) . . . . ?
C43 C44 C45 N6 3.1(11) . . . . ?
N8 C46 C47 N7 35.5(9) . . . . ?
N8 C46 C47 C48 -148.0(7) . . . . ?
N7 C47 C48 C49 -0.8(11) . . . . ?
C46 C47 C48 C49 -177.0(7) . . . . ?
C47 C48 C49 C50 1.4(11) . . . . ?
C48 C49 C50 C51 -0.3(10) . . . . ?
C49 C50 C51 N7 -1.6(11) . . . . ?
O6 C52 C53 C58 -169.7(6) . . . . ?
O6 C52 C53 C54 5.6(9) . . . . ?
C58 C53 C54 C55 -1.3(10) . . . . ?
C52 C53 C54 C55 -176.5(6) . . . . ?
C53 C54 C55 C56 0.2(11) . . . . ?
C54 C55 C56 C57 0.5(11) . . . . ?
C55 C56 C57 C58 0.0(12) . . . . ?
C54 C53 C58 C57 1.8(11) . . . . ?
C52 C53 C58 C57 177.2(7) . . . . ?
C56 C57 C58 C53 -1.2(12) . . . . ?
N12 C59 C60 N9 -28.7(9) . . . . ?
N12 C59 C60 C61 158.0(6) . . . . ?
N9 C60 C61 C62 1.3(11) . . . . ?
C59 C60 C61 C62 174.3(7) . . . . ?
C60 C61 C62 C63 -2.2(11) . . . . ?
C61 C62 C63 C64 2.1(11) . . . . ?
C61 C62 C63 C68 -179.2(7) . . . . ?
C68 C63 C64 N9 180.0(7) . . . . ?
C62 C63 C64 N9 -1.3(11) . . . . ?
C68 C63 C64 C65 -1.6(10) . . . . ?
C62 C63 C64 C65 177.2(6) . . . . ?
N9 C64 C65 C66 -178.1(6) . . . . ?
C63 C64 C65 C66 3.4(10) . . . . ?
N9 C64 C65 O11 -1.0(9) . . . . ?
C63 C64 C65 O11 -179.5(6) . . . . ?
O11 C65 C66 C67 -178.0(6) . . . . ?
C64 C65 C66 C67 -1.3(11) . . . . ?
C65 C66 C67 C68 -2.7(11) . . . . ?
C66 C67 C68 C63 4.5(11) . . . . ?
C64 C63 C68 C67 -2.4(11) . . . . ?
C62 C63 C68 C67 178.9(7) . . . . ?
N12 C69 C70 N10 10.9(10) . . . . ?
N12 C69 C70 C71 -171.1(6) . . . . ?
N10 C70 C71 C72 0.8(10) . . . . ?
C69 C70 C71 C72 -177.2(7) . . . . ?
C70 C71 C72 C73 1.7(11) . . . . ?
C71 C72 C73 C74 -3.1(11) . . . . ?
C72 C73 C74 N10 2.0(10) . . . . ?
N12 C75 C76 N11 -33.9(8) . . . . ?
N12 C75 C76 C77 146.6(6) . . . . ?
N11 C76 C77 C78 1.2(10) . . . . ?
C75 C76 C77 C78 -179.3(6) . . . . ?
C76 C77 C78 C79 -0.8(10) . . . . ?
C77 C78 C79 C80 0.4(11) . . . . ?
C78 C79 C80 N11 -0.3(11) . . . . ?
O11 C81 C82 C87 -117.1(7) . . . . ?
O11 C81 C82 C83 65.5(8) . . . . ?
C87 C82 C83 C84 1.1(11) . . . . ?
C81 C82 C83 C84 178.7(7) . . . . ?
C82 C83 C84 C85 -1.9(12) . . . . ?
C83 C84 C85 C86 1.6(12) . . . . ?
C84 C85 C86 C87 -0.6(12) . . . . ?
C85 C86 C87 C82 -0.1(12) . . . . ?
C83 C82 C87 C86 -0.2(11) . . . . ?
C81 C82 C87 C86 -177.6(7) . . . . ?
N16 C88 C89 N13 23.0(10) . . . . ?
N16 C88 C89 C90 -160.8(7) . . . . ?
N13 C89 C90 C91 2.2(11) . . . . ?
C88 C89 C90 C91 -173.7(7) . . . . ?
C89 C90 C91 C92 -1.5(11) . . . . ?
C90 C91 C92 C93 -0.6(10) . . . . ?
C90 C91 C92 C97 179.5(7) . . . . ?
C91 C92 C93 N13 2.2(10) . . . . ?
C97 C92 C93 N13 -177.9(6) . . . . ?
C91 C92 C93 C94 -176.7(6) . . . . ?
C97 C92 C93 C94 3.2(10) . . . . ?
N13 C93 C94 C95 179.4(6) . . . . ?
C92 C93 C94 C95 -1.7(10) . . . . ?
N13 C93 C94 O16 -2.8(9) . . . . ?
C92 C93 C94 O16 176.1(6) . . . . ?
O16 C94 C95 C96 -176.6(7) . . . . ?
C93 C94 C95 C96 0.8(11) . . . . ?
C94 C95 C96 C97 -1.5(11) . . . . ?
C95 C96 C97 C92 3.1(11) . . . . ?
C91 C92 C97 C96 175.9(7) . . . . ?
C93 C92 C97 C96 -4.0(11) . . . . ?
N16 C98 C99 N14 35.3(8) . . . . ?
N16 C98 C99 C100 -144.7(6) . . . . ?
N14 C99 C100 C101 4.7(10) . . . . ?
C98 C99 C100 C101 -175.4(7) . . . . ?
C99 C100 C101 C102 -0.2(12) . . . . ?
C100 C101 C102 C103 -3.1(12) . . . . ?
C101 C102 C103 N14 2.0(10) . . . . ?
N16 C104 C105 N15 12.9(10) . . . . ?
N16 C104 C105 C106 -170.2(6) . . . . ?
N15 C105 C106 C107 3.8(11) . . . . ?
C104 C105 C106 C107 -173.1(7) . . . . ?
C105 C106 C107 C108 -2.5(11) . . . . ?
C106 C107 C108 C109 0.5(11) . . . . ?
C107 C108 C109 N15 0.2(11) . . . . ?
O16 C110 C111 C112 -171.4(6) . . . . ?
O16 C110 C111 C116 8.4(9) . . . . ?
C116 C111 C112 C113 -2.5(11) . . . . ?
C110 C111 C112 C113 177.4(7) . . . . ?
C111 C112 C113 C114 0.2(13) . . . . ?
C112 C113 C114 C115 0.9(12) . . . . ?
C113 C114 C115 C116 0.3(11) . . . . ?
C112 C111 C116 C115 3.6(11) . . . . ?
C110 C111 C116 C115 -176.2(7) . . . . ?
C114 C115 C116 C111 -2.5(11) . . . . ?
N20 C117 C118 N17 -24.7(10) . . . . ?
N20 C117 C118 C119 154.8(7) . . . . ?
N17 C118 C119 C120 -4.6(11) . . . . ?
C117 C118 C119 C120 175.9(6) . . . . ?
C118 C119 C120 C121 3.4(10) . . . . ?
C119 C120 C121 C126 -179.4(7) . . . . ?
C119 C120 C121 C122 0.1(10) . . . . ?
C120 C121 C122 N17 -2.8(10) . . . . ?
C126 C121 C122 N17 176.7(6) . . . . ?
C120 C121 C122 C123 178.4(6) . . . . ?
C126 C121 C122 C123 -2.1(10) . . . . ?
N17 C122 C123 O21 4.0(9) . . . . ?
C121 C122 C123 O21 -177.1(6) . . . . ?
N17 C122 C123 C124 -178.6(6) . . . . ?
C121 C122 C123 C124 0.3(10) . . . . ?
O21 C123 C124 C125 178.3(6) . . . . ?
C122 C123 C124 C125 1.2(10) . . . . ?
C123 C124 C125 C126 -0.7(11) . . . . ?
C124 C125 C126 C121 -1.3(11) . . . . ?
C120 C121 C126 C125 -177.9(7) . . . . ?
C122 C121 C126 C125 2.6(10) . . . . ?
N20 C127 C128 N18 17.6(9) . . . . ?
N20 C127 C128 C129 -164.8(6) . . . . ?
N18 C128 C129 C130 0.8(11) . . . . ?
C127 C128 C129 C130 -176.6(7) . . . . ?
C128 C129 C130 C131 -0.5(11) . . . . ?
C129 C130 C131 C132 1.0(11) . . . . ?
C130 C131 C132 N18 -1.8(11) . . . . ?
N20 C133 C134 N19 -32.7(8) . . . . ?
N20 C133 C134 C135 146.8(7) . . . . ?
N19 C134 C135 C136 -2.8(12) . . . . ?
C133 C134 C135 C136 177.7(7) . . . . ?
C134 C135 C136 C137 1.2(13) . . . . ?
C135 C136 C137 C138 -0.6(12) . . . . ?
C136 C137 C138 N19 1.5(12) . . . . ?
O21 C139 C140 C141 -114.2(7) . . . . ?
O21 C139 C140 C145 68.7(7) . . . . ?
C145 C140 C141 C142 -1.3(10) . . . . ?
C139 C140 C141 C142 -178.4(6) . . . . ?
C140 C141 C142 C143 -0.2(11) . . . . ?
C141 C142 C143 C144 1.0(11) . . . . ?
C142 C143 C144 C145 -0.3(11) . . . . ?
C141 C140 C145 C144 2.0(10) . . . . ?
C139 C140 C145 C144 179.2(6) . . . . ?
C143 C144 C145 C140 -1.2(11) . . . . ?
N24 C146 C147 N21 26.8(9) . . . . ?
N24 C146 C147 C148 -158.5(6) . . . . ?
N21 C147 C148 C149 2.3(11) . . . . ?
C146 C147 C148 C149 -172.3(7) . . . . ?
C147 C148 C149 C150 0.0(11) . . . . ?
C148 C149 C150 C155 -179.4(7) . . . . ?
C148 C149 C150 C151 -4.0(10) . . . . ?
C155 C150 C151 N21 -178.1(6) . . . . ?
C149 C150 C151 N21 6.2(10) . . . . ?
C155 C150 C151 C152 0.2(10) . . . . ?
C149 C150 C151 C152 -175.6(6) . . . . ?
N21 C151 C152 O26 -3.2(9) . . . . ?
C150 C151 C152 O26 178.5(6) . . . . ?
N21 C151 C152 C153 177.0(6) . . . . ?
C150 C151 C152 C153 -1.3(11) . . . . ?
O26 C152 C153 C154 179.1(6) . . . . ?
C151 C152 C153 C154 -1.1(10) . . . . ?
C152 C153 C154 C155 5.0(10) . . . . ?
C153 C154 C155 C150 -6.3(11) . . . . ?
C151 C150 C155 C154 3.7(10) . . . . ?
C149 C150 C155 C154 179.0(7) . . . . ?
N24 C156 C157 N22 -12.6(10) . . . . ?
N24 C156 C157 C158 169.4(7) . . . . ?
N22 C157 C158 C159 1.3(11) . . . . ?
C156 C157 C158 C159 179.3(7) . . . . ?
C157 C158 C159 C160 -3.3(12) . . . . ?
C158 C159 C160 C161 3.4(11) . . . . ?
C159 C160 C161 N22 -1.5(11) . . . . ?
N24 C162 C163 N23 34.2(8) . . . . ?
N24 C162 C163 C164 -150.7(7) . . . . ?
N23 C163 C164 C165 -0.7(11) . . . . ?
C162 C163 C164 C165 -175.5(7) . . . . ?
C163 C164 C165 C166 1.6(11) . . . . ?
C164 C165 C166 C167 -1.6(12) . . . . ?
C165 C166 C167 N23 0.8(12) . . . . ?
O26 C168 C169 C174 -169.1(6) . . . . ?
O26 C168 C169 C170 6.6(9) . . . . ?
C174 C169 C170 C171 -0.5(10) . . . . ?
C168 C169 C170 C171 -176.1(6) . . . . ?
C169 C170 C171 C172 -1.2(11) . . . . ?
C170 C171 C172 C173 0.8(12) . . . . ?
C171 C172 C173 C174 1.1(13) . . . . ?
C170 C169 C174 C173 2.5(11) . . . . ?
C168 C169 C174 C173 178.3(7) . . . . ?
C172 C173 C174 C169 -2.8(12) . . . . ?
C8 C9 N1 C6 -1.3(10) . . . . ?
C10 C9 N1 C6 -178.0(6) . . . . ?
C8 C9 N1 Zn1 -176.6(6) . . . . ?
C10 C9 N1 Zn1 6.7(8) . . . . ?
C1 C6 N1 C9 -178.4(6) . . . . ?
C5 C6 N1 C9 2.8(10) . . . . ?
C1 C6 N1 Zn1 -3.5(9) . . . . ?
C5 C6 N1 Zn1 177.7(5) . . . . ?
C19 C18 N2 C22 1.3(10) . . . . ?
C17 C18 N2 C22 -173.6(7) . . . . ?
C19 C18 N2 Zn1 -177.3(5) . . . . ?
C17 C18 N2 Zn1 7.8(9) . . . . ?
C21 C22 N2 C18 -1.3(10) . . . . ?
C21 C22 N2 Zn1 177.1(5) . . . . ?
C15 C16 N3 C12 0.0(11) . . . . ?
C15 C16 N3 Zn1 175.5(6) . . . . ?
C13 C12 N3 C16 0.4(10) . . . . ?
C11 C12 N3 C16 179.8(6) . . . . ?
C13 C12 N3 Zn1 -175.8(5) . . . . ?
C11 C12 N3 Zn1 3.7(8) . . . . ?
C9 C10 N4 C17 -87.2(8) . . . . ?
C9 C10 N4 C11 140.6(7) . . . . ?
C9 C10 N4 Zn1 29.8(7) . . . . ?
C18 C17 N4 C10 134.9(7) . . . . ?
C18 C17 N4 C11 -94.5(9) . . . . ?
C18 C17 N4 Zn1 18.5(8) . . . . ?
C12 C11 N4 C10 -66.3(8) . . . . ?
C12 C11 N4 C17 162.8(6) . . . . ?
C12 C11 N4 Zn1 47.0(7) . . . . ?
C37 C38 N5 C35 -1.2(11) . . . . ?
C39 C38 N5 C35 174.6(7) . . . . ?
C37 C38 N5 Zn2 -179.6(5) . . . . ?
C39 C38 N5 Zn2 -3.8(9) . . . . ?
C30 C35 N5 C38 178.6(7) . . . . ?
C34 C35 N5 C38 -1.6(10) . . . . ?
C30 C35 N5 Zn2 -3.2(9) . . . . ?
C34 C35 N5 Zn2 176.6(5) . . . . ?
C44 C45 N6 C41 -2.0(10) . . . . ?
C44 C45 N6 Zn2 -177.8(5) . . . . ?
C42 C41 N6 C45 -1.3(10) . . . . ?
C40 C41 N6 C45 174.1(7) . . . . ?
C42 C41 N6 Zn2 174.9(6) . . . . ?
C40 C41 N6 Zn2 -9.6(8) . . . . ?
C48 C47 N7 C51 -0.9(10) . . . . ?
C46 C47 N7 C51 175.5(6) . . . . ?
C48 C47 N7 Zn2 177.6(5) . . . . ?
C46 C47 N7 Zn2 -6.0(8) . . . . ?
C50 C51 N7 C47 2.2(10) . . . . ?
C50 C51 N7 Zn2 -176.1(5) . . . . ?
C41 C40 N8 C46 96.5(8) . . . . ?
C41 C40 N8 C39 -138.1(7) . . . . ?
C41 C40 N8 Zn2 -19.4(8) . . . . ?
C47 C46 N8 C40 -163.1(6) . . . . ?
C47 C46 N8 C39 71.1(8) . . . . ?
C47 C46 N8 Zn2 -43.7(6) . . . . ?
C38 C39 N8 C40 90.3(8) . . . . ?
C38 C39 N8 C46 -143.7(7) . . . . ?
C38 C39 N8 Zn2 -30.5(8) . . . . ?
C63 C64 N9 C60 0.4(10) . . . . ?
C65 C64 N9 C60 -178.0(6) . . . . ?
C63 C64 N9 Zn3 176.9(5) . . . . ?
C65 C64 N9 Zn3 -1.5(9) . . . . ?
C61 C60 N9 C64 -0.4(10) . . . . ?
C59 C60 N9 C64 -173.8(6) . . . . ?
C61 C60 N9 Zn3 -177.3(5) . . . . ?
C59 C60 N9 Zn3 9.3(7) . . . . ?
C73 C74 N10 C70 0.5(10) . . . . ?
C73 C74 N10 Zn3 -174.3(5) . . . . ?
C71 C70 N10 C74 -1.9(10) . . . . ?
C69 C70 N10 C74 176.1(7) . . . . ?
C71 C70 N10 Zn3 173.4(5) . . . . ?
C69 C70 N10 Zn3 -8.7(8) . . . . ?
C79 C80 N11 C76 0.7(10) . . . . ?
C79 C80 N11 Zn3 174.7(5) . . . . ?
C77 C76 N11 C80 -1.2(10) . . . . ?
C75 C76 N11 C80 179.3(6) . . . . ?
C77 C76 N11 Zn3 -175.8(5) . . . . ?
C75 C76 N11 Zn3 4.7(7) . . . . ?
C76 C75 N12 C69 163.7(6) . . . . ?
C76 C75 N12 C59 -68.6(7) . . . . ?
C76 C75 N12 Zn3 43.5(6) . . . . ?
C70 C69 N12 C75 -124.7(7) . . . . ?
C70 C69 N12 C59 109.6(7) . . . . ?
C70 C69 N12 Zn3 -7.4(8) . . . . ?
C60 C59 N12 C75 143.2(6) . . . . ?
C60 C59 N12 C69 -89.6(7) . . . . ?
C60 C59 N12 Zn3 30.7(7) . . . . ?
C90 C89 N13 C93 -0.7(11) . . . . ?
C88 C89 N13 C93 175.2(6) . . . . ?
C90 C89 N13 Zn4 179.7(6) . . . . ?
C88 C89 N13 Zn4 -4.4(9) . . . . ?
C92 C93 N13 C89 -1.6(10) . . . . ?
C94 C93 N13 C89 177.3(6) . . . . ?
C92 C93 N13 Zn4 178.0(5) . . . . ?
C94 C93 N13 Zn4 -3.1(9) . . . . ?
C102 C103 N14 C99 2.2(10) . . . . ?
C102 C103 N14 Zn4 -177.6(5) . . . . ?
C100 C99 N14 C103 -5.8(10) . . . . ?
C98 C99 N14 C103 174.3(6) . . . . ?
C100 C99 N14 Zn4 174.0(5) . . . . ?
C98 C99 N14 Zn4 -5.9(7) . . . . ?
C106 C105 N15 C109 -2.9(9) . . . . ?
C104 C105 N15 C109 174.0(6) . . . . ?
C106 C105 N15 Zn4 178.1(5) . . . . ?
C104 C105 N15 Zn4 -5.0(8) . . . . ?
C108 C109 N15 C105 1.0(10) . . . . ?
C108 C109 N15 Zn4 179.9(5) . . . . ?
C99 C98 N16 C88 72.4(7) . . . . ?
C99 C98 N16 C104 -159.6(6) . . . . ?
C99 C98 N16 Zn4 -42.6(6) . . . . ?
C89 C88 N16 C98 -140.5(7) . . . . ?
C89 C88 N16 C104 89.8(8) . . . . ?
C89 C88 N16 Zn4 -27.5(7) . . . . ?
C105 C104 N16 C98 101.8(7) . . . . ?
C105 C104 N16 C88 -130.1(7) . . . . ?
C105 C104 N16 Zn4 -13.1(8) . . . . ?
C119 C118 N17 C122 2.1(11) . . . . ?
C117 C118 N17 C122 -178.4(6) . . . . ?
C119 C118 N17 Zn5 -171.7(6) . . . . ?
C117 C118 N17 Zn5 7.7(9) . . . . ?
C123 C122 N17 C118 -179.4(6) . . . . ?
C121 C122 N17 C118 1.7(10) . . . . ?
C123 C122 N17 Zn5 -6.3(9) . . . . ?
C121 C122 N17 Zn5 174.8(5) . . . . ?
C129 C128 N18 C132 -1.5(10) . . . . ?
C127 C128 N18 C132 176.0(6) . . . . ?
C129 C128 N18 Zn5 168.8(5) . . . . ?
C127 C128 N18 Zn5 -13.7(8) . . . . ?
C131 C132 N18 C128 2.0(10) . . . . ?
C131 C132 N18 Zn5 -167.5(5) . . . . ?
C135 C134 N19 C138 3.6(10) . . . . ?
C133 C134 N19 C138 -176.9(6) . . . . ?
C135 C134 N19 Zn5 -174.9(6) . . . . ?
C133 C134 N19 Zn5 4.6(8) . . . . ?
C137 C138 N19 C134 -3.0(10) . . . . ?
C137 C138 N19 Zn5 175.4(6) . . . . ?
C134 C133 N20 C127 160.8(6) . . . . ?
C134 C133 N20 C117 -71.5(7) . . . . ?
C134 C133 N20 Zn5 41.3(6) . . . . ?
C128 C127 N20 C133 -129.9(7) . . . . ?
C128 C127 N20 C117 103.0(7) . . . . ?
C128 C127 N20 Zn5 -12.5(7) . . . . ?
C118 C117 N20 C133 138.8(6) . . . . ?
C118 C117 N20 C127 -91.8(8) . . . . ?
C118 C117 N20 Zn5 26.0(7) . . . . ?
C148 C147 N21 C151 -0.2(10) . . . . ?
C146 C147 N21 C151 174.6(6) . . . . ?
C148 C147 N21 Zn6 176.6(5) . . . . ?
C146 C147 N21 Zn6 -8.5(8) . . . . ?
C152 C151 N21 C147 177.6(6) . . . . ?
C150 C151 N21 C147 -4.1(10) . . . . ?
C152 C151 N21 Zn6 1.1(9) . . . . ?
C150 C151 N21 Zn6 179.4(5) . . . . ?
C160 C161 N22 C157 -0.4(10) . . . . ?
C160 C161 N22 Zn6 171.1(5) . . . . ?
C158 C157 N22 C161 0.6(10) . . . . ?
C156 C157 N22 C161 -177.4(7) . . . . ?
C158 C157 N22 Zn6 -171.8(5) . . . . ?
C156 C157 N22 Zn6 10.2(8) . . . . ?
C166 C167 N23 C163 0.2(10) . . . . ?
C166 C167 N23 Zn6 -175.7(6) . . . . ?
C164 C163 N23 C167 -0.2(10) . . . . ?
C162 C163 N23 C167 174.9(6) . . . . ?
C164 C163 N23 Zn6 176.1(5) . . . . ?
C162 C163 N23 Zn6 -8.8(7) . . . . ?
C163 C162 N24 C146 74.1(7) . . . . ?
C163 C162 N24 C156 -159.1(6) . . . . ?
C163 C162 N24 Zn6 -39.9(6) . . . . ?
C147 C146 N24 C162 -143.6(6) . . . . ?
C147 C146 N24 C156 90.1(7) . . . . ?
C147 C146 N24 Zn6 -28.9(7) . . . . ?
C157 C156 N24 C162 125.8(7) . . . . ?
C157 C156 N24 C146 -108.8(7) . . . . ?
C157 C156 N24 Zn6 8.1(8) . . . . ?
C2 C1 O1 C23 5.1(10) . . . . ?
C6 C1 O1 C23 -178.5(6) . . . . ?
C24 C23 O1 C1 81.8(7) . . . . ?
O5 Cl1 O2 Zn1 24.0(4) . . . . ?
O3 Cl1 O2 Zn1 143.5(3) . . . . ?
O4 Cl1 O2 Zn1 -97.3(4) . . . . ?
C31 C30 O6 C52 -4.4(10) . . . . ?
C35 C30 O6 C52 174.2(6) . . . . ?
C53 C52 O6 C30 -85.1(7) . . . . ?
O9 Cl2 O7 Zn2 107.3(4) . . . . ?
O10 Cl2 O7 Zn2 -132.8(3) . . . . ?
O8 Cl2 O7 Zn2 -12.2(4) . . . . ?
C66 C65 O11 C81 -2.0(10) . . . . ?
C64 C65 O11 C81 -178.9(6) . . . . ?
C82 C81 O11 C65 84.9(7) . . . . ?
O14 Cl3 O15 Zn3 -91.5(4) . . . . ?
O13 Cl3 O15 Zn3 149.5(3) . . . . ?
O12 Cl3 O15 Zn3 30.0(4) . . . . ?
C95 C94 O16 C110 -11.8(10) . . . . ?
C93 C94 O16 C110 170.6(6) . . . . ?
C111 C110 O16 C94 -81.5(7) . . . . ?
O18 Cl4 O17 Zn4 -129.6(4) . . . . ?
O19 Cl4 O17 Zn4 110.9(4) . . . . ?
O20 Cl4 O17 Zn4 -9.7(4) . . . . ?
C122 C123 O21 C139 179.8(6) . . . . ?
C124 C123 O21 C139 2.5(10) . . . . ?
C140 C139 O21 C123 83.0(7) . . . . ?
O25 Cl5 O22 Zn5 22.7(4) . . . . ?
O24 Cl5 O22 Zn5 143.0(3) . . . . ?
O23 Cl5 O22 Zn5 -97.3(4) . . . . ?
C153 C152 O26 C168 -4.2(10) . . . . ?
C151 C152 O26 C168 176.0(6) . . . . ?
C169 C168 O26 C152 -87.0(7) . . . . ?
O28 Cl6 O27 Zn6 106.3(4) . . . . ?
O29 Cl6 O27 Zn6 -132.8(3) . . . . ?
O30 Cl6 O27 Zn6 -13.1(4) . . . . ?
C9 N1 Zn1 N2 84.5(5) . . . . ?
C6 N1 Zn1 N2 -90.3(6) . . . . ?
C9 N1 Zn1 N3 -68.1(5) . . . . ?
C6 N1 Zn1 N3 117.0(5) . . . . ?
C9 N1 Zn1 O2 -164.9(4) . . . . ?
C6 N1 Zn1 O2 20.3(7) . . . . ?
C9 N1 Zn1 N4 8.1(5) . . . . ?
C6 N1 Zn1 N4 -166.7(6) . . . . ?
C18 N2 Zn1 N1 -73.6(5) . . . . ?
C22 N2 Zn1 N1 107.9(6) . . . . ?
C18 N2 Zn1 N3 62.1(6) . . . . ?
C22 N2 Zn1 N3 -116.4(6) . . . . ?
C18 N2 Zn1 O2 143.7(5) . . . . ?
C22 N2 Zn1 O2 -34.8(6) . . . . ?
C18 N2 Zn1 N4 2.5(5) . . . . ?
C22 N2 Zn1 N4 -175.9(6) . . . . ?
C16 N3 Zn1 N1 -79.6(6) . . . . ?
C12 N3 Zn1 N1 96.1(5) . . . . ?
C16 N3 Zn1 N2 142.5(6) . . . . ?
C12 N3 Zn1 N2 -41.8(6) . . . . ?
C16 N3 Zn1 O2 60.3(6) . . . . ?
C12 N3 Zn1 O2 -124.0(5) . . . . ?
C16 N3 Zn1 N4 -157.3(6) . . . . ?
C12 N3 Zn1 N4 18.5(5) . . . . ?
Cl1 O2 Zn1 N1 154.8(3) . . . . ?
Cl1 O2 Zn1 N2 -87.4(4) . . . . ?
Cl1 O2 Zn1 N3 52.7(4) . . . . ?
Cl1 O2 Zn1 N4 -14.5(6) . . . . ?
C10 N4 Zn1 N1 -20.8(5) . . . . ?
C17 N4 Zn1 N1 99.9(5) . . . . ?
C11 N4 Zn1 N1 -138.5(5) . . . . ?
C10 N4 Zn1 N2 -132.4(5) . . . . ?
C17 N4 Zn1 N2 -11.6(5) . . . . ?
C11 N4 Zn1 N2 110.0(5) . . . . ?
C10 N4 Zn1 N3 82.3(5) . . . . ?
C17 N4 Zn1 N3 -157.0(5) . . . . ?
C11 N4 Zn1 N3 -35.3(5) . . . . ?
C10 N4 Zn1 O2 152.1(4) . . . . ?
C17 N4 Zn1 O2 -87.1(6) . . . . ?
C11 N4 Zn1 O2 34.5(6) . . . . ?
C45 N6 Zn2 N7 113.1(6) . . . . ?
C41 N6 Zn2 N7 -62.9(6) . . . . ?
C45 N6 Zn2 N5 -109.9(6) . . . . ?
C41 N6 Zn2 N5 74.2(5) . . . . ?
C45 N6 Zn2 O7 31.6(6) . . . . ?
C41 N6 Zn2 O7 -144.3(5) . . . . ?
C45 N6 Zn2 N8 174.6(6) . . . . ?
C41 N6 Zn2 N8 -1.3(5) . . . . ?
C47 N7 Zn2 N6 47.2(6) . . . . ?
C51 N7 Zn2 N6 -134.5(5) . . . . ?
C47 N7 Zn2 N5 -91.0(5) . . . . ?
C51 N7 Zn2 N5 87.4(6) . . . . ?
C47 N7 Zn2 O7 129.7(5) . . . . ?
C51 N7 Zn2 O7 -52.0(6) . . . . ?
C47 N7 Zn2 N8 -15.3(5) . . . . ?
C51 N7 Zn2 N8 163.1(6) . . . . ?
C38 N5 Zn2 N6 -87.2(5) . . . . ?
C35 N5 Zn2 N6 94.5(6) . . . . ?
C38 N5 Zn2 N7 63.6(5) . . . . ?
C35 N5 Zn2 N7 -114.8(5) . . . . ?
C38 N5 Zn2 O7 163.4(5) . . . . ?
C35 N5 Zn2 O7 -14.9(7) . . . . ?
C38 N5 Zn2 N8 -11.0(5) . . . . ?
C35 N5 Zn2 N8 170.7(6) . . . . ?
Cl2 O7 Zn2 N6 78.4(4) . . . . ?
Cl2 O7 Zn2 N7 -58.1(4) . . . . ?
Cl2 O7 Zn2 N5 -165.1(3) . . . . ?
Cl2 O7 Zn2 N8 6.1(5) . . . . ?
C40 N8 Zn2 N6 11.8(5) . . . . ?
C46 N8 Zn2 N6 -108.9(5) . . . . ?
C39 N8 Zn2 N6 133.5(5) . . . . ?
C40 N8 Zn2 N7 153.2(5) . . . . ?
C46 N8 Zn2 N7 32.5(4) . . . . ?
C39 N8 Zn2 N7 -85.1(5) . . . . ?
C40 N8 Zn2 N5 -99.3(5) . . . . ?
C46 N8 Zn2 N5 140.1(5) . . . . ?
C39 N8 Zn2 N5 22.4(5) . . . . ?
C40 N8 Zn2 O7 86.6(6) . . . . ?
C46 N8 Zn2 O7 -34.1(6) . . . . ?
C39 N8 Zn2 O7 -151.7(4) . . . . ?
C74 N10 Zn3 N9 97.6(5) . . . . ?
C70 N10 Zn3 N9 -77.4(5) . . . . ?
C74 N10 Zn3 N11 -134.7(5) . . . . ?
C70 N10 Zn3 N11 50.3(7) . . . . ?
C74 N10 Zn3 O15 -43.9(5) . . . . ?
C70 N10 Zn3 O15 141.1(5) . . . . ?
C74 N10 Zn3 N12 178.0(6) . . . . ?
C70 N10 Zn3 N12 3.0(5) . . . . ?
C64 N9 Zn3 N10 -90.3(6) . . . . ?
C60 N9 Zn3 N10 86.3(5) . . . . ?
C64 N9 Zn3 N11 114.5(6) . . . . ?
C60 N9 Zn3 N11 -68.9(5) . . . . ?
C64 N9 Zn3 O15 9.6(7) . . . . ?
C60 N9 Zn3 O15 -173.8(4) . . . . ?
C64 N9 Zn3 N12 -169.8(6) . . . . ?
C60 N9 Zn3 N12 6.8(5) . . . . ?
C80 N11 Zn3 N10 153.8(5) . . . . ?
C76 N11 Zn3 N10 -32.0(7) . . . . ?
C80 N11 Zn3 N9 -79.1(6) . . . . ?
C76 N11 Zn3 N9 95.1(5) . . . . ?
C80 N11 Zn3 O15 63.3(5) . . . . ?
C76 N11 Zn3 O15 -122.5(4) . . . . ?
C80 N11 Zn3 N12 -158.1(6) . . . . ?
C76 N11 Zn3 N12 16.1(4) . . . . ?
Cl3 O15 Zn3 N10 -97.0(3) . . . . ?
Cl3 O15 Zn3 N9 160.2(3) . . . . ?
Cl3 O15 Zn3 N11 51.6(3) . . . . ?
Cl3 O15 Zn3 N12 -20.7(5) . . . . ?
C75 N12 Zn3 N10 124.4(4) . . . . ?
C69 N12 Zn3 N10 2.7(5) . . . . ?
C59 N12 Zn3 N10 -119.8(4) . . . . ?
C75 N12 Zn3 N9 -135.8(4) . . . . ?
C69 N12 Zn3 N9 102.4(5) . . . . ?
C59 N12 Zn3 N9 -20.1(4) . . . . ?
C75 N12 Zn3 N11 -32.5(4) . . . . ?
C69 N12 Zn3 N11 -154.2(5) . . . . ?
C59 N12 Zn3 N11 83.3(4) . . . . ?
C75 N12 Zn3 O15 44.7(5) . . . . ?
C69 N12 Zn3 O15 -77.0(6) . . . . ?
C59 N12 Zn3 O15 160.5(4) . . . . ?
C105 N15 Zn4 N13 74.1(5) . . . . ?
C109 N15 Zn4 N13 -104.8(5) . . . . ?
C105 N15 Zn4 N14 -63.5(6) . . . . ?
C109 N15 Zn4 N14 117.5(6) . . . . ?
C105 N15 Zn4 O17 -144.4(5) . . . . ?
C109 N15 Zn4 O17 36.7(5) . . . . ?
C105 N15 Zn4 N16 -2.3(5) . . . . ?
C109 N15 Zn4 N16 178.8(6) . . . . ?
C89 N13 Zn4 N15 -86.6(5) . . . . ?
C93 N13 Zn4 N15 93.8(5) . . . . ?
C89 N13 Zn4 N14 66.9(5) . . . . ?
C93 N13 Zn4 N14 -112.7(5) . . . . ?
C89 N13 Zn4 O17 165.7(5) . . . . ?
C93 N13 Zn4 O17 -13.9(7) . . . . ?
C89 N13 Zn4 N16 -9.1(5) . . . . ?
C93 N13 Zn4 N16 171.3(6) . . . . ?
C103 N14 Zn4 N15 -132.9(5) . . . . ?
C99 N14 Zn4 N15 47.3(6) . . . . ?
C103 N14 Zn4 N13 89.0(5) . . . . ?
C99 N14 Zn4 N13 -90.8(5) . . . . ?
C103 N14 Zn4 O17 -50.6(5) . . . . ?
C99 N14 Zn4 O17 129.6(4) . . . . ?
C103 N14 Zn4 N16 165.2(6) . . . . ?
C99 N14 Zn4 N16 -14.6(4) . . . . ?
Cl4 O17 Zn4 N15 78.1(4) . . . . ?
Cl4 O17 Zn4 N13 -168.2(3) . . . . ?
Cl4 O17 Zn4 N14 -62.3(4) . . . . ?
Cl4 O17 Zn4 N16 3.7(6) . . . . ?
C98 N16 Zn4 N15 -113.4(4) . . . . ?
C88 N16 Zn4 N15 128.4(5) . . . . ?
C104 N16 Zn4 N15 8.5(5) . . . . ?
C98 N16 Zn4 N13 138.3(4) . . . . ?
C88 N16 Zn4 N13 20.1(5) . . . . ?
C104 N16 Zn4 N13 -99.8(5) . . . . ?
C98 N16 Zn4 N14 31.6(4) . . . . ?
C88 N16 Zn4 N14 -86.6(5) . . . . ?
C104 N16 Zn4 N14 153.4(5) . . . . ?
C98 N16 Zn4 O17 -36.3(6) . . . . ?
C88 N16 Zn4 O17 -154.5(4) . . . . ?
C104 N16 Zn4 O17 85.6(6) . . . . ?
C128 N18 Zn5 N17 -76.1(5) . . . . ?
C132 N18 Zn5 N17 93.3(5) . . . . ?
C128 N18 Zn5 N19 50.3(7) . . . . ?
C132 N18 Zn5 N19 -140.3(5) . . . . ?
C128 N18 Zn5 O22 141.4(5) . . . . ?
C132 N18 Zn5 O22 -49.2(5) . . . . ?
C128 N18 Zn5 N20 5.1(5) . . . . ?
C132 N18 Zn5 N20 174.4(6) . . . . ?
C118 N17 Zn5 N18 85.8(5) . . . . ?
C122 N17 Zn5 N18 -87.7(5) . . . . ?
C118 N17 Zn5 N19 -69.8(5) . . . . ?
C122 N17 Zn5 N19 116.7(5) . . . . ?
C118 N17 Zn5 O22 -175.7(4) . . . . ?
C122 N17 Zn5 O22 10.8(7) . . . . ?
C118 N17 Zn5 N20 6.2(5) . . . . ?
C122 N17 Zn5 N20 -167.4(6) . . . . ?
C134 N19 Zn5 N18 -30.7(7) . . . . ?
C138 N19 Zn5 N18 150.9(5) . . . . ?
C134 N19 Zn5 N17 94.4(5) . . . . ?
C138 N19 Zn5 N17 -84.0(6) . . . . ?
C134 N19 Zn5 O22 -121.9(5) . . . . ?
C138 N19 Zn5 O22 59.7(5) . . . . ?
C134 N19 Zn5 N20 15.0(5) . . . . ?
C138 N19 Zn5 N20 -163.4(6) . . . . ?
Cl5 O22 Zn5 N18 -94.7(4) . . . . ?
Cl5 O22 Zn5 N17 165.0(3) . . . . ?
Cl5 O22 Zn5 N19 55.2(4) . . . . ?
Cl5 O22 Zn5 N20 -17.7(5) . . . . ?
C133 N20 Zn5 N18 128.2(4) . . . . ?
C127 N20 Zn5 N18 4.6(5) . . . . ?
C117 N20 Zn5 N18 -115.1(5) . . . . ?
C133 N20 Zn5 N17 -134.5(4) . . . . ?
C127 N20 Zn5 N17 101.9(5) . . . . ?
C117 N20 Zn5 N17 -17.7(4) . . . . ?
C133 N20 Zn5 N19 -30.5(4) . . . . ?
C127 N20 Zn5 N19 -154.0(5) . . . . ?
C117 N20 Zn5 N19 86.3(5) . . . . ?
C133 N20 Zn5 O22 47.1(5) . . . . ?
C127 N20 Zn5 O22 -76.4(5) . . . . ?
C117 N20 Zn5 O22 163.9(4) . . . . ?
C161 N22 Zn6 N23 129.3(6) . . . . ?
C157 N22 Zn6 N23 -58.6(7) . . . . ?
C161 N22 Zn6 N21 -97.1(6) . . . . ?
C157 N22 Zn6 N21 75.0(5) . . . . ?
C161 N22 Zn6 O27 44.7(5) . . . . ?
C157 N22 Zn6 O27 -143.2(5) . . . . ?
C161 N22 Zn6 N24 -175.9(6) . . . . ?
C157 N22 Zn6 N24 -3.9(5) . . . . ?
C167 N23 Zn6 N22 -139.1(6) . . . . ?
C163 N23 Zn6 N22 44.8(7) . . . . ?
C167 N23 Zn6 N21 88.7(6) . . . . ?
C163 N23 Zn6 N21 -87.4(5) . . . . ?
C167 N23 Zn6 O27 -53.8(6) . . . . ?
C163 N23 Zn6 O27 130.2(5) . . . . ?
C167 N23 Zn6 N24 165.2(6) . . . . ?
C163 N23 Zn6 N24 -10.8(5) . . . . ?
C147 N21 Zn6 N22 -86.5(5) . . . . ?
C151 N21 Zn6 N22 90.2(6) . . . . ?
C147 N21 Zn6 N23 68.6(5) . . . . ?
C151 N21 Zn6 N23 -114.8(6) . . . . ?
C147 N21 Zn6 O27 173.0(4) . . . . ?
C151 N21 Zn6 O27 -10.4(7) . . . . ?
C147 N21 Zn6 N24 -6.4(5) . . . . ?
C151 N21 Zn6 N24 170.3(6) . . . . ?
Cl6 O27 Zn6 N22 83.9(3) . . . . ?
Cl6 O27 Zn6 N23 -61.9(3) . . . . ?
Cl6 O27 Zn6 N21 -172.5(3) . . . . ?
Cl6 O27 Zn6 N24 6.6(5) . . . . ?
C162 N24 Zn6 N22 -123.8(4) . . . . ?
C146 N24 Zn6 N22 119.0(4) . . . . ?
C156 N24 Zn6 N22 -2.6(5) . . . . ?
C162 N24 Zn6 N23 28.2(4) . . . . ?
C146 N24 Zn6 N23 -89.1(4) . . . . ?
C156 N24 Zn6 N23 149.4(5) . . . . ?
C162 N24 Zn6 N21 135.9(4) . . . . ?
C146 N24 Zn6 N21 18.7(4) . . . . ?
C156 N24 Zn6 N21 -102.9(5) . . . . ?
C162 N24 Zn6 O27 -43.5(5) . . . . ?
C146 N24 Zn6 O27 -160.7(4) . . . . ?
C156 N24 Zn6 O27 77.7(6) . . . . ?
