#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:25:04 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179059 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/21/4302196.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_4302196
loop_
_publ_author_name
'Taro Koide'
'Gengo Kashiwazaki'
'Ko Furukawa'
'Atsuhiro Osuka'
_publ_section_title
;
Homo- and Heterobismetal Complexes of
5-Hydroxy-10,15,25,30-tetrakis(pentafluorophenyl)-Substituted
[26]Hexaphyrin(1.1.1.1.1.1)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4595
_journal_page_last               4597
_journal_paper_doi               10.1021/ic900084p
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C54 H13 Cl F20 N6 O Zn2, 3(C Cl3)'
_chemical_formula_sum            'C57 H13 Cl10 F20 N6 O Zn2'
_chemical_formula_weight         1662.97
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 104.959(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.946(2)
_cell_length_b                   11.5872(14)
_cell_length_c                   26.101(3)
_cell_measurement_temperature    90(2)
_cell_volume                     5828.0(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.908
_diffrn_measured_fraction_theta_max 0.908
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0368
_diffrn_reflns_av_sigmaI/netI    0.0494
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            34380
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    1.396
_exptl_absorpt_correction_T_max  0.9335
_exptl_absorpt_correction_T_min  0.6407
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.895
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3260
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.948
_refine_diff_density_min         -1.418
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     913
_refine_ls_number_reflns         13123
_refine_ls_number_restraints     120
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0983
_refine_ls_R_factor_gt           0.0807
_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)+(0.1270P)²+26.1601P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2304
_refine_ls_wR_factor_ref         0.2428
_reflns_number_gt                10275
_reflns_number_total             13123
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900084p_si_001_2.cif
_cod_data_source_block           zn2
_cod_original_cell_volume        5828.0(12)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4302196
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.58015(3) 0.21240(5) 0.95148(2) 0.02443(17) Uani 1 1 d . . .
Zn2 Zn 0.40129(3) 0.27791(5) 1.03934(2) 0.02478(17) Uani 1 1 d . . .
C1 C 0.4464(3) 0.2938(5) 0.8756(2) 0.0321(12) Uani 1 1 d . . .
C2 C 0.4179(3) 0.3301(7) 0.8225(2) 0.0449(17) Uani 1 1 d . B .
H2 H 0.3718 0.3557 0.8074 0.054 Uiso 1 1 calc R . .
C3 C 0.4697(3) 0.3211(6) 0.7974(2) 0.0408(15) Uani 1 1 d . . .
H3 H 0.4669 0.3403 0.7615 0.049 Uiso 1 1 calc R B .
C4 C 0.5292(3) 0.2771(5) 0.8355(2) 0.0289(11) Uani 1 1 d . B .
C5 C 0.5954(3) 0.2561(5) 0.8261(2) 0.0253(10) Uani 1 1 d . . .
C6 C 0.6517(3) 0.2067(4) 0.8614(2) 0.0245(10) Uani 1 1 d . B .
C7 C 0.7190(3) 0.1815(5) 0.8525(2) 0.0267(11) Uani 1 1 d . . .
H7 H 0.7333 0.1983 0.8212 0.032 Uiso 1 1 calc R B .
C8 C 0.7574(3) 0.1301(5) 0.8963(2) 0.0260(10) Uani 1 1 d . B .
H8 H 0.8040 0.1041 0.9021 0.031 Uiso 1 1 calc R . .
C9 C 0.7142(3) 0.1219(4) 0.9332(2) 0.0235(10) Uani 1 1 d . . .
C10 C 0.7313(2) 0.0675(4) 0.9830(2) 0.0228(10) Uani 1 1 d . B .
C11 C 0.6847(3) 0.0467(4) 1.0148(2) 0.0245(10) Uani 1 1 d . . .
C12 C 0.7004(3) -0.0201(5) 1.0626(2) 0.0323(12) Uani 1 1 d . B .
H12 H 0.7425 -0.0600 1.0776 0.039 Uiso 1 1 calc R . .
C13 C 0.6440(3) -0.0158(5) 1.0826(2) 0.0339(12) Uani 1 1 d . . .
H13 H 0.6391 -0.0517 1.1141 0.041 Uiso 1 1 calc R B .
C14 C 0.5934(3) 0.0533(4) 1.0468(2) 0.0267(10) Uani 1 1 d . A .
C15 C 0.5276(3) 0.0959(5) 1.0489(2) 0.0301(11) Uani 1 1 d . . .
H15 H 0.5006 0.1338 1.0182 0.036 Uiso 0.481(12) 1 calc PR A 2
C16 C 0.4982(3) 0.0869(4) 1.0928(2) 0.0248(10) Uani 1 1 d . A .
C17 C 0.5185(3) 0.0243(5) 1.1418(2) 0.0328(12) Uani 1 1 d . . .
H17 H 0.5552 -0.0301 1.1516 0.039 Uiso 1 1 calc R A .
C18 C 0.4751(3) 0.0577(5) 1.1714(2) 0.0317(12) Uani 1 1 d . A .
H18 H 0.4757 0.0313 1.2060 0.038 Uiso 1 1 calc R . .
C19 C 0.4274(3) 0.1417(4) 1.1402(2) 0.0236(10) Uani 1 1 d . . .
C20 C 0.3766(3) 0.2019(4) 1.1582(2) 0.0230(10) Uani 1 1 d . A .
C21 C 0.3275(3) 0.2779(4) 1.12733(19) 0.0228(10) Uani 1 1 d . . .
C22 C 0.2694(3) 0.3305(5) 1.1430(2) 0.0248(10) Uani 1 1 d . A .
H22 H 0.2601 0.3264 1.1768 0.030 Uiso 1 1 calc R . .
C23 C 0.2318(3) 0.3860(4) 1.0999(2) 0.0254(10) Uani 1 1 d . . .
H23 H 0.1901 0.4277 1.0974 0.031 Uiso 1 1 calc R A .
C24 C 0.2665(2) 0.3705(4) 1.05789(19) 0.0233(10) Uani 1 1 d . A .
C25 C 0.2430(3) 0.4086(4) 1.0052(2) 0.0237(10) Uani 1 1 d . . .
C26 C 0.2761(3) 0.3889(5) 0.9648(2) 0.0254(10) Uani 1 1 d . A .
C27 C 0.2530(3) 0.4322(6) 0.9111(2) 0.0343(13) Uani 1 1 d . . .
H27 H 0.2117 0.4743 0.8963 0.041 Uiso 1 1 calc R A .
C28 C 0.3017(3) 0.4008(6) 0.8861(2) 0.0409(15) Uani 1 1 d . A .
H28 H 0.3014 0.4179 0.8504 0.049 Uiso 1 1 calc R . .
C29 C 0.3535(3) 0.3377(5) 0.9229(2) 0.0302(11) Uani 1 1 d . . .
C30 C 0.4179(3) 0.2906(6) 0.9204(2) 0.0357(13) Uani 1 1 d . A .
H30 H 0.4447 0.2534 0.9514 0.043 Uiso 0.519(12) 1 calc PR A 1
C31 C 0.6030(3) 0.2899(5) 0.7724(2) 0.0254(10) Uani 1 1 d . B .
C32 C 0.6141(3) 0.4029(5) 0.7596(2) 0.0298(11) Uani 1 1 d . . .
C33 C 0.6219(3) 0.4334(5) 0.7102(3) 0.0361(13) Uani 1 1 d . B .
C34 C 0.6170(3) 0.3504(6) 0.6718(2) 0.0346(13) Uani 1 1 d . . .
C35 C 0.6049(3) 0.2374(5) 0.6829(2) 0.0310(12) Uani 1 1 d . B .
C36 C 0.5981(3) 0.2093(5) 0.7325(2) 0.0274(11) Uani 1 1 d . . .
C37 C 0.8046(3) 0.0292(4) 1.0049(2) 0.0246(10) Uani 1 1 d . . .
C38 C 0.8496(3) 0.0927(5) 1.0433(2) 0.0349(12) Uani 1 1 d . B .
C39 C 0.9191(3) 0.0641(7) 1.0633(3) 0.0460(16) Uani 1 1 d . . .
C40 C 0.9442(3) -0.0319(6) 1.0435(3) 0.0420(16) Uani 1 1 d . B .
C41 C 0.9017(3) -0.0976(6) 1.0060(3) 0.0407(15) Uani 1 1 d . . .
C42 C 0.8318(3) -0.0667(5) 0.9863(2) 0.0315(12) Uani 1 1 d . B .
C43 C 0.3747(3) 0.1843(4) 1.21460(19) 0.0240(10) Uani 1 1 d . . .
C44 C 0.4240(3) 0.2323(5) 1.2559(2) 0.0310(11) Uani 1 1 d . A .
C45 C 0.4221(3) 0.2192(5) 1.3087(2) 0.0352(12) Uani 1 1 d . . .
C46 C 0.3689(3) 0.1552(5) 1.3200(2) 0.0340(13) Uani 1 1 d . A .
C47 C 0.3193(3) 0.1062(5) 1.2796(2) 0.0322(12) Uani 1 1 d . . .
C48 C 0.3216(3) 0.1209(5) 1.2273(2) 0.0266(10) Uani 1 1 d . A .
C49 C 0.1755(3) 0.4721(5) 0.99087(19) 0.0241(10) Uani 1 1 d . A .
C50 C 0.1677(3) 0.5791(5) 1.0119(2) 0.0269(10) Uani 1 1 d . . .
C51 C 0.1040(3) 0.6341(5) 1.0006(2) 0.0331(12) Uani 1 1 d . A .
C52 C 0.0480(3) 0.5856(6) 0.9673(2) 0.0391(14) Uani 1 1 d . . .
C53 C 0.0535(3) 0.4792(6) 0.9449(2) 0.0368(13) Uani 1 1 d . A .
C54 C 0.1172(3) 0.4242(5) 0.9569(2) 0.0283(11) Uani 1 1 d . . .
F1 F 0.6197(2) 0.4858(3) 0.79651(16) 0.0464(9) Uani 1 1 d . B .
F2 F 0.6344(2) 0.5433(3) 0.70017(18) 0.0554(11) Uani 1 1 d . . .
F3 F 0.62437(19) 0.3819(4) 0.62450(14) 0.0491(10) Uani 1 1 d . B .
F4 F 0.5995(2) 0.1560(4) 0.64606(14) 0.0482(10) Uani 1 1 d . . .
F5 F 0.58557(19) 0.0980(3) 0.74168(14) 0.0385(8) Uani 1 1 d . B .
F6 F 0.8266(2) 0.1890(3) 1.06246(16) 0.0499(10) Uani 1 1 d . . .
F7 F 0.9615(2) 0.1300(5) 1.0994(2) 0.0767(15) Uani 1 1 d . B .
F8 F 1.0115(2) -0.0590(5) 1.06227(18) 0.0630(13) Uani 1 1 d . . .
F9 F 0.9264(3) -0.1903(4) 0.98686(18) 0.0603(12) Uani 1 1 d . B .
F10 F 0.7916(2) -0.1322(3) 0.94846(15) 0.0445(9) Uani 1 1 d . . .
F11 F 0.47542(19) 0.2946(3) 1.24608(14) 0.0426(9) Uani 1 1 d . . .
F12 F 0.4699(2) 0.2695(4) 1.34726(14) 0.0506(10) Uani 1 1 d . A .
F13 F 0.36514(19) 0.1425(4) 1.37009(13) 0.0480(10) Uani 1 1 d . . .
F14 F 0.26882(18) 0.0416(4) 1.29060(15) 0.0455(9) Uani 1 1 d . A .
F15 F 0.27197(17) 0.0721(3) 1.18931(13) 0.0347(7) Uani 1 1 d . . .
F16 F 0.22222(17) 0.6308(3) 1.04500(13) 0.0358(7) Uani 1 1 d . A .
F17 F 0.0983(2) 0.7387(3) 1.02220(15) 0.0451(9) Uani 1 1 d . . .
F18 F -0.0138(2) 0.6375(4) 0.95597(16) 0.0589(12) Uani 1 1 d . A .
F19 F -0.00221(18) 0.4288(4) 0.91277(16) 0.0551(11) Uani 1 1 d . . .
F20 F 0.12064(17) 0.3197(3) 0.93545(13) 0.0345(7) Uani 1 1 d . A .
N1 N 0.5133(2) 0.2592(4) 0.88256(17) 0.0266(9) Uani 1 1 d . B .
N2 N 0.6513(2) 0.1698(4) 0.91131(17) 0.0253(9) Uani 1 1 d . B .
N3 N 0.6187(2) 0.0889(4) 1.00540(16) 0.0232(8) Uani 1 1 d . A .
N4 N 0.4418(2) 0.1555(4) 1.09225(17) 0.0240(8) Uani 1 1 d . A .
N5 N 0.3251(2) 0.3069(4) 1.07657(16) 0.0224(8) Uani 1 1 d . A .
N6 N 0.3374(2) 0.3315(4) 0.97081(16) 0.0254(9) Uani 1 1 d . A .
O1 O 0.4954(4) 0.1701(7) 1.0101(3) 0.034(2) Uani 0.519(12) 1 d P A 1
O1T O 0.4586(4) 0.2456(8) 0.9663(3) 0.031(2) Uani 0.481(12) 1 d P A 2
Cl1 Cl 0.60347(11) 0.37770(18) 1.00054(9) 0.0298(6) Uani 0.595(5) 1 d P B 3
Cl2 Cl 0.4824(2) 0.4169(3) 1.06392(17) 0.0416(12) Uani 0.405(5) 1 d P B 4
C1U C 0.9085(4) 0.4258(7) 0.2128(3) 0.060(2) Uani 1 1 d DU . .
Cl1U Cl 0.92569(13) 0.5630(2) 0.19022(9) 0.0749(6) Uani 1 1 d DU . .
Cl2U Cl 0.90178(18) 0.3248(2) 0.16271(10) 0.0927(9) Uani 1 1 d DU . .
Cl3U Cl 0.83284(15) 0.4327(4) 0.23512(13) 0.1041(10) Uani 1 1 d DU . .
C1S C 0.8592(8) -0.0835(13) 0.2046(7) 0.181(9) Uani 1 1 d DU . .
Cl1S Cl 0.9331(4) -0.0075(6) 0.1809(2) 0.087(3) Uani 0.421(9) 1 d PDU C 5
Cl2S Cl 0.8031(4) 0.0265(7) 0.2057(3) 0.096(3) Uani 0.421(9) 1 d PDU C 5
Cl3S Cl 0.8403(6) -0.1865(6) 0.1575(4) 0.144(6) Uani 0.421(9) 1 d PDU C 5
Cl4S Cl 0.7804(12) -0.1844(16) 0.1823(8) 0.312(10) Uani 0.579(9) 1 d PDU C 6
Cl5S Cl 0.905(2) -0.114(4) 0.1565(18) 0.73(4) Uani 0.579(9) 1 d PDU C 6
Cl6S Cl 0.8226(16) 0.0532(18) 0.1946(11) 0.405(16) Uani 0.579(9) 1 d PDU C 6
C1V C 0.6596(11) 0.255(2) 0.1686(9) 0.239(15) Uani 1 1 d DU . .
Cl1V Cl 0.7139(9) 0.2665(12) 0.1294(6) 0.390(8) Uani 1 1 d DU . .
Cl2V Cl 0.6022(8) 0.3667(14) 0.1655(6) 0.410(8) Uani 1 1 d DU . .
Cl3V Cl 0.6941(12) 0.207(2) 0.2320(8) 0.589(16) Uani 1 1 d DU . .
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'
F F 0.0171 0.0103 '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
N3 Zn1 N1 149.20(18) . . ?
N3 Zn1 N2 89.81(17) . . ?
N1 Zn1 N2 89.65(17) . . ?
N3 Zn1 Cl1 102.60(13) . . ?
N1 Zn1 Cl1 105.45(15) . . ?
N2 Zn1 Cl1 115.16(14) . . ?
N4 Zn2 N6 152.27(19) . . ?
N4 Zn2 N5 90.34(17) . . ?
N6 Zn2 N5 89.62(17) . . ?
N4 Zn2 Cl2 100.25(16) . . ?
N6 Zn2 Cl2 106.04(17) . . ?
N5 Zn2 Cl2 108.41(15) . . ?
N1 C1 C2 110.4(5) . . ?
N1 C1 C30 117.9(5) . . ?
C2 C1 C30 131.7(5) . . ?
C3 C2 C1 106.6(5) . . ?
C3 C2 H2 126.7 . . ?
C1 C2 H2 126.7 . . ?
C2 C3 C4 106.8(5) . . ?
C2 C3 H3 126.6 . . ?
C4 C3 H3 126.6 . . ?
N1 C4 C5 124.8(5) . . ?
N1 C4 C3 109.7(5) . . ?
C5 C4 C3 125.5(5) . . ?
C6 C5 C4 125.9(5) . . ?
C6 C5 C31 118.2(4) . . ?
C4 C5 C31 115.9(5) . . ?
N2 C6 C5 124.0(4) . . ?
N2 C6 C7 108.9(4) . . ?
C5 C6 C7 127.1(5) . . ?
C8 C7 C6 107.5(4) . . ?
C8 C7 H7 126.3 . . ?
C6 C7 H7 126.3 . . ?
C7 C8 C9 106.8(4) . . ?
C7 C8 H8 126.6 . . ?
C9 C8 H8 126.6 . . ?
N2 C9 C10 123.4(4) . . ?
N2 C9 C8 109.7(4) . . ?
C10 C9 C8 126.8(5) . . ?
C9 C10 C11 125.4(5) . . ?
C9 C10 C37 117.8(4) . . ?
C11 C10 C37 116.8(5) . . ?
N3 C11 C10 125.5(5) . . ?
N3 C11 C12 109.4(4) . . ?
C10 C11 C12 125.0(5) . . ?
C13 C12 C11 107.4(5) . . ?
C13 C12 H12 126.3 . . ?
C11 C12 H12 126.3 . . ?
C12 C13 C14 106.6(5) . . ?
C12 C13 H13 126.7 . . ?
C14 C13 H13 126.7 . . ?
N3 C14 C15 117.4(5) . . ?
N3 C14 C13 110.0(4) . . ?
C15 C14 C13 132.4(5) . . ?
O1 C15 C14 117.1(5) . . ?
O1 C15 C16 115.9(5) . . ?
C14 C15 C16 125.8(5) . . ?
O1 C15 H15 11.8 . . ?
C14 C15 H15 117.1 . . ?
C16 C15 H15 117.1 . . ?
N4 C16 C15 117.1(5) . . ?
N4 C16 C17 110.1(4) . . ?
C15 C16 C17 132.6(5) . . ?
C18 C17 C16 106.8(5) . . ?
C18 C17 H17 126.6 . . ?
C16 C17 H17 126.6 . . ?
C17 C18 C19 107.0(5) . . ?
C17 C18 H18 126.5 . . ?
C19 C18 H18 126.5 . . ?
N4 C19 C20 126.0(5) . . ?
N4 C19 C18 109.3(4) . . ?
C20 C19 C18 124.6(4) . . ?
C21 C20 C19 125.1(4) . . ?
C21 C20 C43 117.3(4) . . ?
C19 C20 C43 117.7(4) . . ?
N5 C21 C20 124.0(4) . . ?
N5 C21 C22 109.9(4) . . ?
C20 C21 C22 126.0(4) . . ?
C23 C22 C21 106.2(4) . . ?
C23 C22 H22 126.9 . . ?
C21 C22 H22 126.9 . . ?
C22 C23 C24 107.5(4) . . ?
C22 C23 H23 126.3 . . ?
C24 C23 H23 126.3 . . ?
N5 C24 C25 124.0(4) . . ?
N5 C24 C23 109.2(4) . . ?
C25 C24 C23 126.7(5) . . ?
C26 C25 C24 125.7(5) . . ?
C26 C25 C49 117.4(4) . . ?
C24 C25 C49 116.8(4) . . ?
N6 C26 C25 125.1(5) . . ?
N6 C26 C27 109.4(4) . . ?
C25 C26 C27 125.4(5) . . ?
C28 C27 C26 106.5(5) . . ?
C28 C27 H27 126.7 . . ?
C26 C27 H27 126.7 . . ?
C27 C28 C29 107.5(5) . . ?
C27 C28 H28 126.3 . . ?
C29 C28 H28 126.3 . . ?
N6 C29 C30 116.9(5) . . ?
N6 C29 C28 110.1(4) . . ?
C30 C29 C28 132.8(5) . . ?
O1T C30 C29 116.7(5) . . ?
O1T C30 C1 117.2(5) . . ?
C29 C30 C1 125.9(6) . . ?
O1T C30 H30 4.6 . . ?
C29 C30 H30 117.0 . . ?
C1 C30 H30 117.0 . . ?
C32 C31 C36 116.2(5) . . ?
C32 C31 C5 122.3(5) . . ?
C36 C31 C5 121.5(5) . . ?
F1 C32 C31 119.5(5) . . ?
F1 C32 C33 118.5(5) . . ?
C31 C32 C33 122.0(5) . . ?
F2 C33 C34 120.3(5) . . ?
F2 C33 C32 119.8(6) . . ?
C34 C33 C32 119.8(5) . . ?
F3 C34 C33 118.7(6) . . ?
F3 C34 C35 121.5(6) . . ?
C33 C34 C35 119.7(5) . . ?
F4 C35 C36 120.1(5) . . ?
F4 C35 C34 120.6(5) . . ?
C36 C35 C34 119.2(5) . . ?
F5 C36 C35 117.6(5) . . ?
F5 C36 C31 119.4(5) . . ?
C35 C36 C31 123.0(5) . . ?
C38 C37 C42 116.5(5) . . ?
C38 C37 C10 120.7(4) . . ?
C42 C37 C10 122.7(5) . . ?
F6 C38 C37 119.5(5) . . ?
F6 C38 C39 117.3(6) . . ?
C37 C38 C39 123.1(6) . . ?
F7 C39 C40 120.3(6) . . ?
F7 C39 C38 121.2(6) . . ?
C40 C39 C38 118.5(6) . . ?
F8 C40 C41 120.9(6) . . ?
F8 C40 C39 118.6(7) . . ?
C41 C40 C39 120.5(5) . . ?
F9 C41 C40 120.2(6) . . ?
F9 C41 C42 119.8(7) . . ?
C40 C41 C42 120.0(6) . . ?
F10 C42 C37 120.2(5) . . ?
F10 C42 C41 118.4(5) . . ?
C37 C42 C41 121.4(6) . . ?
C44 C43 C48 117.3(5) . . ?
C44 C43 C20 121.4(5) . . ?
C48 C43 C20 121.3(5) . . ?
F11 C44 C43 120.0(5) . . ?
F11 C44 C45 117.8(5) . . ?
C43 C44 C45 122.2(5) . . ?
F12 C45 C46 120.8(5) . . ?
F12 C45 C44 120.2(5) . . ?
C46 C45 C44 119.0(5) . . ?
F13 C46 C47 119.8(5) . . ?
F13 C46 C45 120.4(6) . . ?
C47 C46 C45 119.8(5) . . ?
F14 C47 C46 119.8(5) . . ?
F14 C47 C48 119.7(5) . . ?
C46 C47 C48 120.4(5) . . ?
F15 C48 C47 118.2(5) . . ?
F15 C48 C43 120.6(4) . . ?
C47 C48 C43 121.2(5) . . ?
C50 C49 C54 116.9(5) . . ?
C50 C49 C25 121.9(5) . . ?
C54 C49 C25 121.2(5) . . ?
F16 C50 C49 120.1(5) . . ?
F16 C50 C51 118.6(5) . . ?
C49 C50 C51 121.3(5) . . ?
C52 C51 F17 119.9(5) . . ?
C52 C51 C50 120.5(5) . . ?
F17 C51 C50 119.6(5) . . ?
F18 C52 C51 121.3(6) . . ?
F18 C52 C53 118.6(6) . . ?
C51 C52 C53 120.1(5) . . ?
F19 C53 C52 120.6(5) . . ?
F19 C53 C54 120.4(6) . . ?
C52 C53 C54 119.0(5) . . ?
F20 C54 C49 120.3(5) . . ?
F20 C54 C53 117.6(5) . . ?
C49 C54 C53 122.1(5) . . ?
C1 N1 C4 106.5(4) . . ?
C1 N1 Zn1 126.7(4) . . ?
C4 N1 Zn1 126.3(4) . . ?
C9 N2 C6 107.2(4) . . ?
C9 N2 Zn1 125.2(3) . . ?
C6 N2 Zn1 126.2(3) . . ?
C11 N3 C14 106.5(4) . . ?
C11 N3 Zn1 123.7(3) . . ?
C14 N3 Zn1 127.9(3) . . ?
C19 N4 C16 106.7(4) . . ?
C19 N4 Zn2 125.0(3) . . ?
C16 N4 Zn2 127.0(3) . . ?
C21 N5 C24 107.2(4) . . ?
C21 N5 Zn2 125.7(3) . . ?
C24 N5 Zn2 126.7(3) . . ?
C26 N6 C29 106.5(4) . . ?
C26 N6 Zn2 126.7(3) . . ?
C29 N6 Zn2 125.7(3) . . ?
Cl2U C1U Cl3U 112.1(5) . . ?
Cl2U C1U Cl1U 109.9(5) . . ?
Cl3U C1U Cl1U 109.2(5) . . ?
Cl3S C1S Cl2S 121.2(9) . . ?
Cl3S C1S Cl6S 122.0(13) . . ?
Cl2S C1S Cl6S 20.9(12) . . ?
Cl3S C1S Cl5S 53.1(14) . . ?
Cl2S C1S Cl5S 128.6(19) . . ?
Cl6S C1S Cl5S 110.4(17) . . ?
Cl3S C1S Cl4S 48.6(8) . . ?
Cl2S C1S Cl4S 88.3(10) . . ?
Cl6S C1S Cl4S 103.2(12) . . ?
Cl5S C1S Cl4S 101.3(14) . . ?
Cl3S C1S Cl1S 97.6(11) . . ?
Cl2S C1S Cl1S 102.8(9) . . ?
Cl6S C1S Cl1S 82.1(13) . . ?
Cl5S C1S Cl1S 45.0(16) . . ?
Cl4S C1S Cl1S 143.5(12) . . ?
Cl1V C1V Cl3V 117.0(16) . . ?
Cl1V C1V Cl2V 116.0(17) . . ?
Cl3V C1V Cl2V 112.7(13) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 N3 2.015(4) . ?
Zn1 N1 2.017(5) . ?
Zn1 N2 2.030(4) . ?
Zn1 Cl1 2.284(2) . ?
Zn2 N4 1.999(4) . ?
Zn2 N6 2.008(4) . ?
Zn2 N5 2.032(4) . ?
Zn2 Cl2 2.255(4) . ?
C1 N1 1.361(7) . ?
C1 C2 1.421(8) . ?
C1 C30 1.426(7) . ?
C2 C3 1.363(8) . ?
C2 H2 0.9500 . ?
C3 C4 1.431(8) . ?
C3 H3 0.9500 . ?
C4 N1 1.362(7) . ?
C4 C5 1.425(7) . ?
C5 C6 1.380(8) . ?
C5 C31 1.500(7) . ?
C6 N2 1.373(7) . ?
C6 C7 1.451(7) . ?
C7 C8 1.341(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.452(6) . ?
C8 H8 0.9500 . ?
C9 N2 1.356(7) . ?
C9 C10 1.405(7) . ?
C10 C11 1.416(7) . ?
C10 C37 1.494(7) . ?
C11 N3 1.367(6) . ?
C11 C12 1.433(8) . ?
C12 C13 1.356(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.430(8) . ?
C13 H13 0.9500 . ?
C14 N3 1.369(6) . ?
C14 C15 1.417(7) . ?
C15 O1 1.358(10) . ?
C15 C16 1.419(7) . ?
C15 H15 0.9500 . ?
C16 N4 1.374(6) . ?
C16 C17 1.434(7) . ?
C17 C18 1.357(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.454(7) . ?
C18 H18 0.9500 . ?
C19 N4 1.364(6) . ?
C19 C20 1.407(7) . ?
C20 C21 1.406(7) . ?
C20 C43 1.496(6) . ?
C21 N5 1.356(6) . ?
C21 C22 1.457(7) . ?
C22 C23 1.343(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.452(6) . ?
C23 H23 0.9500 . ?
C24 N5 1.361(6) . ?
C24 C25 1.404(7) . ?
C25 C26 1.401(7) . ?
C25 C49 1.495(7) . ?
C26 N6 1.364(6) . ?
C26 C27 1.448(7) . ?
C27 C28 1.353(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.419(8) . ?
C28 H28 0.9500 . ?
C29 N6 1.371(6) . ?
C29 C30 1.412(7) . ?
C30 O1T 1.365(10) . ?
C30 H30 0.9500 . ?
C31 C32 1.383(8) . ?
C31 C36 1.385(7) . ?
C32 F1 1.344(6) . ?
C32 C33 1.384(8) . ?
C33 F2 1.337(7) . ?
C33 C34 1.374(9) . ?
C34 F3 1.332(6) . ?
C34 C35 1.376(9) . ?
C35 F4 1.331(6) . ?
C35 C36 1.375(7) . ?
C36 F5 1.347(6) . ?
C37 C38 1.374(8) . ?
C37 C42 1.378(7) . ?
C38 F6 1.350(7) . ?
C38 C39 1.390(8) . ?
C39 F7 1.331(8) . ?
C39 C40 1.374(10) . ?
C40 F8 1.342(7) . ?
C40 C41 1.352(10) . ?
C41 F9 1.331(7) . ?
C41 C42 1.403(8) . ?
C42 F10 1.336(7) . ?
C43 C44 1.375(8) . ?
C43 C48 1.398(7) . ?
C44 F11 1.332(6) . ?
C44 C45 1.397(8) . ?
C45 F12 1.329(7) . ?
C45 C46 1.387(9) . ?
C46 F13 1.337(6) . ?
C46 C47 1.370(9) . ?
C47 F14 1.344(6) . ?
C47 C48 1.387(7) . ?
C48 F15 1.333(6) . ?
C49 C50 1.381(7) . ?
C49 C54 1.383(8) . ?
C50 F16 1.342(6) . ?
C50 C51 1.385(7) . ?
C51 C52 1.349(9) . ?
C51 F17 1.353(7) . ?
C52 F18 1.334(6) . ?
C52 C53 1.381(9) . ?
C53 F19 1.340(7) . ?
C53 C54 1.384(8) . ?
C54 F20 1.343(6) . ?
C1U Cl2U 1.734(8) . ?
C1U Cl3U 1.753(9) . ?
C1U Cl1U 1.760(9) . ?
C1S Cl3S 1.686(15) . ?
C1S Cl2S 1.702(15) . ?
C1S Cl6S 1.74(2) . ?
C1S Cl5S 1.77(2) . ?
C1S Cl4S 1.925(19) . ?
C1S Cl1S 1.95(2) . ?
C1V Cl1V 1.675(19) . ?
C1V Cl3V 1.71(2) . ?
C1V Cl2V 1.72(2) . ?
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
N1 C1 C2 C3 -2.2(8) . . . . ?
C30 C1 C2 C3 176.3(7) . . . . ?
C1 C2 C3 C4 1.0(8) . . . . ?
C2 C3 C4 N1 0.4(8) . . . . ?
C2 C3 C4 C5 -179.0(6) . . . . ?
N1 C4 C5 C6 5.2(9) . . . . ?
C3 C4 C5 C6 -175.5(6) . . . . ?
N1 C4 C5 C31 -175.6(5) . . . . ?
C3 C4 C5 C31 3.6(8) . . . . ?
C4 C5 C6 N2 0.5(9) . . . . ?
C31 C5 C6 N2 -178.6(5) . . . . ?
C4 C5 C6 C7 178.2(5) . . . . ?
C31 C5 C6 C7 -0.9(8) . . . . ?
N2 C6 C7 C8 0.2(6) . . . . ?
C5 C6 C7 C8 -177.7(5) . . . . ?
C6 C7 C8 C9 0.4(6) . . . . ?
C7 C8 C9 N2 -0.9(6) . . . . ?
C7 C8 C9 C10 175.7(5) . . . . ?
N2 C9 C10 C11 5.6(8) . . . . ?
C8 C9 C10 C11 -170.6(5) . . . . ?
N2 C9 C10 C37 -173.8(5) . . . . ?
C8 C9 C10 C37 10.1(8) . . . . ?
C9 C10 C11 N3 -9.0(8) . . . . ?
C37 C10 C11 N3 170.4(5) . . . . ?
C9 C10 C11 C12 172.6(5) . . . . ?
C37 C10 C11 C12 -8.0(8) . . . . ?
N3 C11 C12 C13 -1.3(7) . . . . ?
C10 C11 C12 C13 177.4(5) . . . . ?
C11 C12 C13 C14 0.3(7) . . . . ?
C12 C13 C14 N3 0.8(7) . . . . ?
C12 C13 C14 C15 -173.9(6) . . . . ?
N3 C14 C15 O1 -1.1(8) . . . . ?
C13 C14 C15 O1 173.3(7) . . . . ?
N3 C14 C15 C16 -167.8(5) . . . . ?
C13 C14 C15 C16 6.7(10) . . . . ?
O1 C15 C16 N4 -1.5(8) . . . . ?
C14 C15 C16 N4 165.3(5) . . . . ?
O1 C15 C16 C17 -176.3(7) . . . . ?
C14 C15 C16 C17 -9.5(10) . . . . ?
N4 C16 C17 C18 -1.6(7) . . . . ?
C15 C16 C17 C18 173.6(6) . . . . ?
C16 C17 C18 C19 0.2(7) . . . . ?
C17 C18 C19 N4 1.3(7) . . . . ?
C17 C18 C19 C20 -176.3(5) . . . . ?
N4 C19 C20 C21 7.0(8) . . . . ?
C18 C19 C20 C21 -175.8(5) . . . . ?
N4 C19 C20 C43 -172.8(5) . . . . ?
C18 C19 C20 C43 4.3(8) . . . . ?
C19 C20 C21 N5 -3.3(8) . . . . ?
C43 C20 C21 N5 176.6(5) . . . . ?
C19 C20 C21 C22 172.2(5) . . . . ?
C43 C20 C21 C22 -7.9(8) . . . . ?
N5 C21 C22 C23 2.7(6) . . . . ?
C20 C21 C22 C23 -173.4(5) . . . . ?
C21 C22 C23 C24 -1.1(6) . . . . ?
C22 C23 C24 N5 -0.7(6) . . . . ?
C22 C23 C24 C25 176.2(5) . . . . ?
N5 C24 C25 C26 -0.9(9) . . . . ?
C23 C24 C25 C26 -177.4(5) . . . . ?
N5 C24 C25 C49 176.7(5) . . . . ?
C23 C24 C25 C49 0.2(8) . . . . ?
C24 C25 C26 N6 -1.6(9) . . . . ?
C49 C25 C26 N6 -179.3(5) . . . . ?
C24 C25 C26 C27 -177.5(6) . . . . ?
C49 C25 C26 C27 4.8(8) . . . . ?
N6 C26 C27 C28 -0.8(7) . . . . ?
C25 C26 C27 C28 175.7(6) . . . . ?
C26 C27 C28 C29 1.0(8) . . . . ?
C27 C28 C29 N6 -0.9(8) . . . . ?
C27 C28 C29 C30 -175.3(7) . . . . ?
N6 C29 C30 O1T -1.3(9) . . . . ?
C28 C29 C30 O1T 172.8(8) . . . . ?
N6 C29 C30 C1 -176.3(6) . . . . ?
C28 C29 C30 C1 -2.1(12) . . . . ?
N1 C1 C30 O1T -4.3(9) . . . . ?
C2 C1 C30 O1T 177.3(8) . . . . ?
N1 C1 C30 C29 170.5(6) . . . . ?
C2 C1 C30 C29 -7.8(12) . . . . ?
C6 C5 C31 C32 -101.4(6) . . . . ?
C4 C5 C31 C32 79.4(7) . . . . ?
C6 C5 C31 C36 79.5(7) . . . . ?
C4 C5 C31 C36 -99.7(6) . . . . ?
C36 C31 C32 F1 -179.6(5) . . . . ?
C5 C31 C32 F1 1.3(8) . . . . ?
C36 C31 C32 C33 -1.8(8) . . . . ?
C5 C31 C32 C33 179.1(5) . . . . ?
F1 C32 C33 F2 -0.3(8) . . . . ?
C31 C32 C33 F2 -178.2(5) . . . . ?
F1 C32 C33 C34 179.4(5) . . . . ?
C31 C32 C33 C34 1.5(9) . . . . ?
F2 C33 C34 F3 -0.7(8) . . . . ?
C32 C33 C34 F3 179.7(5) . . . . ?
F2 C33 C34 C35 179.3(5) . . . . ?
C32 C33 C34 C35 -0.4(9) . . . . ?
F3 C34 C35 F4 -0.6(8) . . . . ?
C33 C34 C35 F4 179.5(5) . . . . ?
F3 C34 C35 C36 179.6(5) . . . . ?
C33 C34 C35 C36 -0.3(8) . . . . ?
F4 C35 C36 F5 -0.5(8) . . . . ?
C34 C35 C36 F5 179.3(5) . . . . ?
F4 C35 C36 C31 -179.8(5) . . . . ?
C34 C35 C36 C31 0.0(8) . . . . ?
C32 C31 C36 F5 -178.3(5) . . . . ?
C5 C31 C36 F5 0.8(8) . . . . ?
C32 C31 C36 C35 1.0(8) . . . . ?
C5 C31 C36 C35 -179.9(5) . . . . ?
C9 C10 C37 C38 101.7(6) . . . . ?
C11 C10 C37 C38 -77.7(7) . . . . ?
C9 C10 C37 C42 -75.0(7) . . . . ?
C11 C10 C37 C42 105.5(6) . . . . ?
C42 C37 C38 F6 178.8(5) . . . . ?
C10 C37 C38 F6 1.8(8) . . . . ?
C42 C37 C38 C39 0.0(9) . . . . ?
C10 C37 C38 C39 -177.0(6) . . . . ?
F6 C38 C39 F7 -1.0(10) . . . . ?
C37 C38 C39 F7 177.8(6) . . . . ?
F6 C38 C39 C40 -178.4(6) . . . . ?
C37 C38 C39 C40 0.4(10) . . . . ?
F7 C39 C40 F8 1.6(10) . . . . ?
C38 C39 C40 F8 179.1(6) . . . . ?
F7 C39 C40 C41 -178.4(6) . . . . ?
C38 C39 C40 C41 -0.9(10) . . . . ?
F8 C40 C41 F9 -0.3(9) . . . . ?
C39 C40 C41 F9 179.8(6) . . . . ?
F8 C40 C41 C42 -178.9(5) . . . . ?
C39 C40 C41 C42 1.1(9) . . . . ?
C38 C37 C42 F10 -179.2(5) . . . . ?
C10 C37 C42 F10 -2.3(8) . . . . ?
C38 C37 C42 C41 0.2(8) . . . . ?
C10 C37 C42 C41 177.1(5) . . . . ?
F9 C41 C42 F10 0.0(8) . . . . ?
C40 C41 C42 F10 178.6(5) . . . . ?
F9 C41 C42 C37 -179.4(5) . . . . ?
C40 C41 C42 C37 -0.7(8) . . . . ?
C21 C20 C43 C44 -106.0(6) . . . . ?
C19 C20 C43 C44 73.9(7) . . . . ?
C21 C20 C43 C48 72.2(6) . . . . ?
C19 C20 C43 C48 -107.9(6) . . . . ?
C48 C43 C44 F11 -179.3(5) . . . . ?
C20 C43 C44 F11 -1.0(8) . . . . ?
C48 C43 C44 C45 0.1(8) . . . . ?
C20 C43 C44 C45 178.4(5) . . . . ?
F11 C44 C45 F12 1.0(8) . . . . ?
C43 C44 C45 F12 -178.3(5) . . . . ?
F11 C44 C45 C46 179.6(5) . . . . ?
C43 C44 C45 C46 0.3(9) . . . . ?
F12 C45 C46 F13 -0.5(9) . . . . ?
C44 C45 C46 F13 -179.1(5) . . . . ?
F12 C45 C46 C47 178.5(5) . . . . ?
C44 C45 C46 C47 -0.1(9) . . . . ?
F13 C46 C47 F14 -2.9(8) . . . . ?
C45 C46 C47 F14 178.2(5) . . . . ?
F13 C46 C47 C48 178.5(5) . . . . ?
C45 C46 C47 C48 -0.5(9) . . . . ?
F14 C47 C48 F15 1.7(8) . . . . ?
C46 C47 C48 F15 -179.7(5) . . . . ?
F14 C47 C48 C43 -177.8(5) . . . . ?
C46 C47 C48 C43 0.9(8) . . . . ?
C44 C43 C48 F15 179.9(5) . . . . ?
C20 C43 C48 F15 1.6(7) . . . . ?
C44 C43 C48 C47 -0.7(8) . . . . ?
C20 C43 C48 C47 -178.9(5) . . . . ?
C26 C25 C49 C50 -115.7(6) . . . . ?
C24 C25 C49 C50 66.5(7) . . . . ?
C26 C25 C49 C54 66.3(7) . . . . ?
C24 C25 C49 C54 -111.5(6) . . . . ?
C54 C49 C50 F16 -179.7(4) . . . . ?
C25 C49 C50 F16 2.2(7) . . . . ?
C54 C49 C50 C51 1.7(8) . . . . ?
C25 C49 C50 C51 -176.4(5) . . . . ?
F16 C50 C51 C52 179.5(5) . . . . ?
C49 C50 C51 C52 -1.9(9) . . . . ?
F16 C50 C51 F17 1.1(8) . . . . ?
C49 C50 C51 F17 179.7(5) . . . . ?
F17 C51 C52 F18 -1.6(9) . . . . ?
C50 C51 C52 F18 180.0(5) . . . . ?
F17 C51 C52 C53 179.7(5) . . . . ?
C50 C51 C52 C53 1.3(9) . . . . ?
F18 C52 C53 F19 -0.4(9) . . . . ?
C51 C52 C53 F19 178.4(6) . . . . ?
F18 C52 C53 C54 -179.3(6) . . . . ?
C51 C52 C53 C54 -0.6(9) . . . . ?
C50 C49 C54 F20 -179.2(4) . . . . ?
C25 C49 C54 F20 -1.0(7) . . . . ?
C50 C49 C54 C53 -1.0(8) . . . . ?
C25 C49 C54 C53 177.1(5) . . . . ?
F19 C53 C54 F20 -0.3(9) . . . . ?
C52 C53 C54 F20 178.6(5) . . . . ?
F19 C53 C54 C49 -178.5(5) . . . . ?
C52 C53 C54 C49 0.5(9) . . . . ?
C2 C1 N1 C4 2.4(7) . . . . ?
C30 C1 N1 C4 -176.3(5) . . . . ?
C2 C1 N1 Zn1 174.5(5) . . . . ?
C30 C1 N1 Zn1 -4.2(8) . . . . ?
C5 C4 N1 C1 177.7(5) . . . . ?
C3 C4 N1 C1 -1.7(7) . . . . ?
C5 C4 N1 Zn1 5.5(8) . . . . ?
C3 C4 N1 Zn1 -173.9(4) . . . . ?
N3 Zn1 N1 C1 86.2(6) . . . . ?
N2 Zn1 N1 C1 175.2(5) . . . . ?
Cl1 Zn1 N1 C1 -68.7(5) . . . . ?
N3 Zn1 N1 C4 -103.2(5) . . . . ?
N2 Zn1 N1 C4 -14.2(5) . . . . ?
Cl1 Zn1 N1 C4 101.9(4) . . . . ?
C10 C9 N2 C6 -175.7(5) . . . . ?
C8 C9 N2 C6 1.1(6) . . . . ?
C10 C9 N2 Zn1 17.6(7) . . . . ?
C8 C9 N2 Zn1 -165.7(3) . . . . ?
C5 C6 N2 C9 177.2(5) . . . . ?
C7 C6 N2 C9 -0.8(6) . . . . ?
C5 C6 N2 Zn1 -16.2(7) . . . . ?
C7 C6 N2 Zn1 165.8(3) . . . . ?
N3 Zn1 N2 C9 -27.1(4) . . . . ?
N1 Zn1 N2 C9 -176.3(4) . . . . ?
Cl1 Zn1 N2 C9 76.7(4) . . . . ?
N3 Zn1 N2 C6 168.6(4) . . . . ?
N1 Zn1 N2 C6 19.4(4) . . . . ?
Cl1 Zn1 N2 C6 -87.5(4) . . . . ?
C10 C11 N3 C14 -176.9(5) . . . . ?
C12 C11 N3 C14 1.8(6) . . . . ?
C10 C11 N3 Zn1 -11.3(7) . . . . ?
C12 C11 N3 Zn1 167.4(4) . . . . ?
C15 C14 N3 C11 174.0(5) . . . . ?
C13 C14 N3 C11 -1.6(6) . . . . ?
C15 C14 N3 Zn1 9.2(7) . . . . ?
C13 C14 N3 Zn1 -166.4(4) . . . . ?
N1 Zn1 N3 C11 112.6(4) . . . . ?
N2 Zn1 N3 C11 23.6(4) . . . . ?
Cl1 Zn1 N3 C11 -92.2(4) . . . . ?
N1 Zn1 N3 C14 -85.0(5) . . . . ?
N2 Zn1 N3 C14 -174.0(4) . . . . ?
Cl1 Zn1 N3 C14 70.2(4) . . . . ?
C20 C19 N4 C16 175.3(5) . . . . ?
C18 C19 N4 C16 -2.2(6) . . . . ?
C20 C19 N4 Zn2 7.4(7) . . . . ?
C18 C19 N4 Zn2 -170.1(4) . . . . ?
C15 C16 N4 C19 -173.6(5) . . . . ?
C17 C16 N4 C19 2.3(6) . . . . ?
C15 C16 N4 Zn2 -6.1(7) . . . . ?
C17 C16 N4 Zn2 169.9(4) . . . . ?
N6 Zn2 N4 C19 -106.8(5) . . . . ?
N5 Zn2 N4 C19 -17.0(4) . . . . ?
Cl2 Zn2 N4 C19 91.8(4) . . . . ?
N6 Zn2 N4 C16 87.8(5) . . . . ?
N5 Zn2 N4 C16 177.6(4) . . . . ?
Cl2 Zn2 N4 C16 -73.6(4) . . . . ?
C20 C21 N5 C24 173.1(5) . . . . ?
C22 C21 N5 C24 -3.1(6) . . . . ?
C20 C21 N5 Zn2 -14.1(7) . . . . ?
C22 C21 N5 Zn2 169.7(3) . . . . ?
C25 C24 N5 C21 -174.6(5) . . . . ?
C23 C24 N5 C21 2.4(6) . . . . ?
C25 C24 N5 Zn2 12.6(7) . . . . ?
C23 C24 N5 Zn2 -170.4(3) . . . . ?
N4 Zn2 N5 C21 20.4(4) . . . . ?
N6 Zn2 N5 C21 172.7(4) . . . . ?
Cl2 Zn2 N5 C21 -80.5(4) . . . . ?
N4 Zn2 N5 C24 -168.1(4) . . . . ?
N6 Zn2 N5 C24 -15.8(4) . . . . ?
Cl2 Zn2 N5 C24 91.0(4) . . . . ?
C25 C26 N6 C29 -176.2(5) . . . . ?
C27 C26 N6 C29 0.2(6) . . . . ?
C25 C26 N6 Zn2 -7.9(8) . . . . ?
C27 C26 N6 Zn2 168.5(4) . . . . ?
C30 C29 N6 C26 175.8(5) . . . . ?
C28 C29 N6 C26 0.4(7) . . . . ?
C30 C29 N6 Zn2 7.3(8) . . . . ?
C28 C29 N6 Zn2 -168.1(4) . . . . ?
N4 Zn2 N6 C26 103.5(5) . . . . ?
N5 Zn2 N6 C26 13.5(5) . . . . ?
Cl2 Zn2 N6 C26 -95.6(5) . . . . ?
N4 Zn2 N6 C29 -90.3(6) . . . . ?
N5 Zn2 N6 C29 179.7(5) . . . . ?
Cl2 Zn2 N6 C29 70.6(5) . . . . ?
