#------------------------------------------------------------------------------
#$Date: 2026-05-27 00:51:50 +0200 (Wed 27 de May de 2026) $
#$Revision: 306097 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/10/7721053.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_7721053
loop_
_publ_author_name
'Killian, Lars'
'Olarte Loyo, Anne'
'De Ridder, Roy R.P.A.M.'
'Lutz, Martin'
'Thevenon, Arnaud'
_publ_section_title
;
 Synthesis and Characterisation of Novel Dipyridine and Pyridinyl
 Benzoquinoline Complexes of Zinc and Nickel
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D6DT00659K
_journal_year                    2026
_chemical_formula_moiety         'C32 H34 Cl2 N2 Zn'
_chemical_formula_sum            'C32 H34 Cl2 N2 Zn'
_chemical_formula_weight         582.88
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-10-16 deposited with the CCDC.	2026-05-25 downloaded from the CCDC.
;
_cell_angle_alpha                94.992(2)
_cell_angle_beta                 105.904(2)
_cell_angle_gamma                109.654(2)
_cell_formula_units_Z            4
_cell_length_a                   12.8450(5)
_cell_length_b                   15.5635(6)
_cell_length_c                   17.1300(6)
_cell_measurement_reflns_used    35042
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.55
_cell_measurement_theta_min      1.26
_cell_volume                     3040.3(2)
_computing_cell_refinement       Peakref
_computing_data_collection       Apex3
_computing_data_reduction        'Eval15, Sadabs'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    SHELXT
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Kappa ApexII'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0490
_diffrn_reflns_av_unetI/netI     0.0395
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            60479
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.509
_diffrn_reflns_theta_min         1.261
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.006
_exptl_absorpt_correction_T_max  0.9990
_exptl_absorpt_correction_T_min  0.6137
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_description       needle
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.370
_refine_diff_density_min         -0.402
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     679
_refine_ls_number_reflns         11335
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0348
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0422P)²+1.4672P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0828
_refine_ls_wR_factor_ref         0.0928
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8215
_reflns_number_total             11335
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d6dt00659k2.cif
_cod_data_source_block           l1340a
_cod_original_cell_volume        3040.2(2)
_cod_database_code               7721053
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.18416(2) 0.94660(2) 0.42978(2) 0.02328(9) Uani 1 1 d . . . . .
Cl11 Cl 0.20044(6) 1.00664(5) 0.31976(4) 0.03424(17) Uani 1 1 d . . . . .
Cl21 Cl 0.18451(6) 1.03571(5) 0.53814(4) 0.03399(17) Uani 1 1 d . . . . .
N11 N 0.05450(17) 0.81700(14) 0.40161(12) 0.0215(5) Uani 1 1 d . . . . .
N21 N 0.31033(17) 0.89278(14) 0.47456(12) 0.0214(5) Uani 1 1 d . . . . .
C11 C -0.0477(2) 0.80169(19) 0.41574(15) 0.0268(6) Uani 1 1 d . . . . .
H11 H -0.062010 0.853272 0.437513 0.032 Uiso 1 1 calc R U . . .
C21 C -0.1319(2) 0.71407(19) 0.39975(16) 0.0297(6) Uani 1 1 d . . . . .
H21 H -0.203683 0.705517 0.409525 0.036 Uiso 1 1 calc R U . . .
C31 C -0.1111(2) 0.63846(19) 0.36929(16) 0.0305(6) Uani 1 1 d . . . . .
H31 H -0.167984 0.577239 0.358409 0.037 Uiso 1 1 calc R U . . .
C41 C -0.0057(2) 0.65339(18) 0.35484(15) 0.0255(6) Uani 1 1 d . . . . .
H41 H 0.011000 0.602453 0.334523 0.031 Uiso 1 1 calc R U . . .
C51 C 0.0748(2) 0.74371(16) 0.37050(14) 0.0196(5) Uani 1 1 d . . . . .
C61 C 0.1907(2) 0.76453(16) 0.35793(15) 0.0190(5) Uani 1 1 d . . . . .
C71 C 0.29278(19) 0.80715(16) 0.43631(14) 0.0185(5) Uani 1 1 d . . . . .
C81 C 0.3579(2) 0.75745(18) 0.47176(16) 0.0241(6) Uani 1 1 d . . . . .
H81 H 0.344479 0.697204 0.444095 0.029 Uiso 1 1 calc R U . . .
C91 C 0.4439(2) 0.79723(19) 0.54896(16) 0.0274(6) Uani 1 1 d . . . . .
H91 H 0.488082 0.763570 0.575400 0.033 Uiso 1 1 calc R U . . .
C101 C 0.4638(2) 0.88589(18) 0.58635(16) 0.0278(6) Uani 1 1 d . . . . .
H101 H 0.523691 0.914941 0.638025 0.033 Uiso 1 1 calc R U . . .
C111 C 0.3961(2) 0.93162(18) 0.54792(16) 0.0266(6) Uani 1 1 d . . . . .
H111 H 0.410080 0.992740 0.573864 0.032 Uiso 1 1 calc R U . . .
C121 C 0.1997(2) 0.74346(16) 0.28361(15) 0.0198(5) Uani 1 1 d . . . . .
C131 C 0.0918(2) 0.70340(17) 0.20819(15) 0.0217(5) Uani 1 1 d . . . . .
C141 C 0.0304(2) 0.75869(19) 0.18139(16) 0.0297(6) Uani 1 1 d . . . . .
H141 H 0.056488 0.820656 0.210850 0.036 Uiso 1 1 calc R U . . .
C151 C -0.0689(2) 0.7251(2) 0.11196(17) 0.0330(7) Uani 1 1 d . . . . .
H151 H -0.109093 0.764991 0.094759 0.040 Uiso 1 1 calc R U . . .
C161 C -0.1111(2) 0.6352(2) 0.06702(16) 0.0307(6) Uani 1 1 d . . . . .
C171 C -0.0493(2) 0.5799(2) 0.09510(18) 0.0397(7) Uani 1 1 d . . . . .
H171 H -0.076264 0.517556 0.066228 0.048 Uiso 1 1 calc R U . . .
C181 C 0.0515(2) 0.61307(19) 0.16467(17) 0.0349(7) Uani 1 1 d . . . . .
H181 H 0.092248 0.573587 0.181997 0.042 Uiso 1 1 calc R U . . .
C191 C 0.3147(2) 0.76842(17) 0.26773(14) 0.0202(5) Uani 1 1 d . . . . .
C201 C 0.3902(2) 0.86116(18) 0.28571(15) 0.0250(6) Uani 1 1 d . . . . .
H201 H 0.371508 0.907482 0.312220 0.030 Uiso 1 1 calc R U . . .
C211 C 0.4924(2) 0.88686(18) 0.26541(15) 0.0271(6) Uani 1 1 d . . . . .
H211 H 0.541888 0.950771 0.277811 0.033 Uiso 1 1 calc R U . . .
C221 C 0.5243(2) 0.82168(18) 0.22745(15) 0.0232(6) Uani 1 1 d . . . . .
C231 C 0.4485(2) 0.72915(18) 0.21075(16) 0.0266(6) Uani 1 1 d . . . . .
H231 H 0.467999 0.682576 0.185534 0.032 Uiso 1 1 calc R U . . .
C241 C 0.3454(2) 0.70271(17) 0.22967(16) 0.0248(6) Uani 1 1 d . . . . .
H241 H 0.295265 0.638919 0.216437 0.030 Uiso 1 1 calc R U . . .
C251 C -0.2237(2) 0.5967(2) -0.00830(18) 0.0423(8) Uani 1 1 d . . . . .
C261 C -0.2495(3) 0.6755(3) -0.0478(2) 0.0644(11) Uani 1 1 d . . . . .
H26A H -0.316550 0.648664 -0.098698 0.097 Uiso 1 1 calc R U . . .
H26B H -0.181020 0.714016 -0.060856 0.097 Uiso 1 1 calc R U . . .
H26C H -0.267309 0.713905 -0.008879 0.097 Uiso 1 1 calc R U . . .
C271 C -0.3237(3) 0.5440(4) 0.0207(3) 0.109(2) Uani 1 1 d . . . . .
H27A H -0.331361 0.586135 0.062811 0.163 Uiso 1 1 calc R U . . .
H27B H -0.308432 0.492674 0.044420 0.163 Uiso 1 1 calc R U . . .
H27C H -0.396312 0.518986 -0.026417 0.163 Uiso 1 1 calc R U . . .
C281 C -0.2109(3) 0.5337(3) -0.0759(2) 0.0632(11) Uani 1 1 d . . . . .
H28A H -0.207305 0.476833 -0.056808 0.095 Uiso 1 1 calc R U . . .
H28B H -0.138959 0.566532 -0.087788 0.095 Uiso 1 1 calc R U . . .
H28C H -0.278107 0.517333 -0.126205 0.095 Uiso 1 1 calc R U . . .
C291 C 0.6347(2) 0.84777(19) 0.20176(16) 0.0289(6) Uani 1 1 d . . . . .
C301 C 0.7057(2) 0.9518(2) 0.22375(18) 0.0403(8) Uani 1 1 d . . . . .
H30A H 0.773811 0.964938 0.204794 0.060 Uiso 1 1 calc R U . . .
H30B H 0.731787 0.973012 0.283915 0.060 Uiso 1 1 calc R U . . .
H30C H 0.657165 0.984641 0.196733 0.060 Uiso 1 1 calc R U . . .
C311 C 0.7119(2) 0.7976(2) 0.24578(19) 0.0440(8) Uani 1 1 d . . . . .
H31A H 0.668709 0.730174 0.229428 0.066 Uiso 1 1 calc R U . . .
H31B H 0.733126 0.816648 0.305872 0.066 Uiso 1 1 calc R U . . .
H31C H 0.782933 0.814189 0.230048 0.066 Uiso 1 1 calc R U . . .
C321 C 0.5981(2) 0.8151(2) 0.10735(17) 0.0382(7) Uani 1 1 d . . . . .
H32A H 0.557067 0.747350 0.092869 0.057 Uiso 1 1 calc R U . . .
H32B H 0.667676 0.832450 0.089889 0.057 Uiso 1 1 calc R U . . .
H32C H 0.546081 0.844777 0.079240 0.057 Uiso 1 1 calc R U . . .
Zn2 Zn 0.20796(2) 0.45869(2) 0.42694(2) 0.02230(8) Uani 1 1 d . . . . .
Cl12 Cl 0.23006(6) 0.51014(5) 0.31462(4) 0.03456(17) Uani 1 1 d . . . . .
Cl22 Cl 0.22104(6) 0.55815(4) 0.53334(4) 0.03284(16) Uani 1 1 d . . . . .
N12 N 0.06193(17) 0.34083(14) 0.40330(12) 0.0217(5) Uani 1 1 d . . . . .
N22 N 0.31530(16) 0.39019(14) 0.47561(12) 0.0207(5) Uani 1 1 d . . . . .
C12 C -0.0334(2) 0.34132(18) 0.42083(15) 0.0238(6) Uani 1 1 d . . . . .
H12 H -0.035923 0.399309 0.440623 0.029 Uiso 1 1 calc R U . . .
C22 C -0.1278(2) 0.26110(18) 0.41127(16) 0.0259(6) Uani 1 1 d . . . . .
H22 H -0.194396 0.263594 0.423889 0.031 Uiso 1 1 calc R U . . .
C32 C -0.1237(2) 0.17668(18) 0.38286(16) 0.0269(6) Uani 1 1 d . . . . .
H32 H -0.187665 0.120224 0.375604 0.032 Uiso 1 1 calc R U . . .
C42 C -0.0253(2) 0.17537(17) 0.36516(15) 0.0237(6) Uani 1 1 d . . . . .
H42 H -0.020719 0.117959 0.346270 0.028 Uiso 1 1 calc R U . . .
C52 C 0.0661(2) 0.25853(16) 0.37524(14) 0.0191(5) Uani 1 1 d . . . . .
C62 C 0.1785(2) 0.26397(16) 0.36154(15) 0.0189(5) Uani 1 1 d . . . . .
C72 C 0.28001(19) 0.29958(16) 0.44010(14) 0.0188(5) Uani 1 1 d . . . . .
C82 C 0.3272(2) 0.24074(17) 0.47931(15) 0.0228(6) Uani 1 1 d . . . . .
H82 H 0.301538 0.177294 0.453702 0.027 Uiso 1 1 calc R U . . .
C92 C 0.4125(2) 0.27559(19) 0.55647(16) 0.0272(6) Uani 1 1 d . . . . .
H92 H 0.443791 0.235635 0.585165 0.033 Uiso 1 1 calc R U . . .
C102 C 0.4516(2) 0.36857(19) 0.59118(16) 0.0284(6) Uani 1 1 d . . . . .
H102 H 0.512196 0.394177 0.642937 0.034 Uiso 1 1 calc R U . . .
C112 C 0.4010(2) 0.42377(18) 0.54932(15) 0.0254(6) Uani 1 1 d . . . . .
H112 H 0.427456 0.487819 0.573352 0.030 Uiso 1 1 calc R U . . .
C122 C 0.1831(2) 0.23752(16) 0.28630(15) 0.0192(5) Uani 1 1 d . . . . .
C132 C 0.0744(2) 0.20380(17) 0.21215(15) 0.0212(5) Uani 1 1 d . . . . .
C142 C 0.0341(2) 0.26765(18) 0.17718(16) 0.0276(6) Uani 1 1 d . . . . .
H142 H 0.072773 0.331799 0.202186 0.033 Uiso 1 1 calc R U . . .
C152 C -0.0627(2) 0.23968(18) 0.10562(16) 0.0282(6) Uani 1 1 d . . . . .
H152 H -0.089074 0.285185 0.083117 0.034 Uiso 1 1 calc R U . . .
C162 C -0.1214(2) 0.14657(18) 0.06645(15) 0.0238(6) Uani 1 1 d . . . . .
C172 C -0.0806(2) 0.08292(18) 0.10359(16) 0.0288(6) Uani 1 1 d . . . . .
H172 H -0.119815 0.018620 0.079211 0.035 Uiso 1 1 calc R U . . .
C182 C 0.0155(2) 0.11003(18) 0.17505(16) 0.0275(6) Uani 1 1 d . . . . .
H182 H 0.040893 0.064584 0.198585 0.033 Uiso 1 1 calc R U . . .
C192 C 0.2941(2) 0.25031(17) 0.26858(15) 0.0217(5) Uani 1 1 d . . . . .
C202 C 0.3901(2) 0.33402(19) 0.29730(16) 0.0291(6) Uani 1 1 d . . . . .
H202 H 0.387486 0.383313 0.332570 0.035 Uiso 1 1 calc R U . . .
C212 C 0.4899(2) 0.3466(2) 0.27512(16) 0.0318(7) Uani 1 1 d . . . . .
H212 H 0.554452 0.404270 0.296345 0.038 Uiso 1 1 calc R U . . .
C222 C 0.4980(2) 0.2776(2) 0.22303(15) 0.0289(6) Uani 1 1 d . . . . .
C232 C 0.4015(2) 0.19362(19) 0.19481(17) 0.0307(6) Uani 1 1 d . . . . .
H232 H 0.404329 0.144254 0.159777 0.037 Uiso 1 1 calc R U . . .
C242 C 0.3017(2) 0.18031(18) 0.21651(16) 0.0287(6) Uani 1 1 d . . . . .
H242 H 0.237380 0.122489 0.195534 0.034 Uiso 1 1 calc R U . . .
C252 C -0.2246(2) 0.11428(19) -0.01417(16) 0.0303(6) Uani 1 1 d . . . . .
C262 C -0.2482(2) 0.1954(2) -0.04821(17) 0.0384(7) Uani 1 1 d . . . . .
H26D H -0.269835 0.229610 -0.008618 0.058 Uiso 1 1 calc R U . . .
H26E H -0.312193 0.171774 -0.100994 0.058 Uiso 1 1 calc R U . . .
H26F H -0.177643 0.237199 -0.056926 0.058 Uiso 1 1 calc R U . . .
C272 C -0.3348(2) 0.0504(2) 0.00131(19) 0.0477(9) Uani 1 1 d . . . . .
H27D H -0.320254 -0.002114 0.023165 0.072 Uiso 1 1 calc R U . . .
H27E H -0.400027 0.026921 -0.050856 0.072 Uiso 1 1 calc R U . . .
H27F H -0.354461 0.085630 0.041489 0.072 Uiso 1 1 calc R U . . .
C282 C -0.1969(3) 0.0589(2) -0.07944(17) 0.0395(7) Uani 1 1 d . . . . .
H28D H -0.124720 0.098223 -0.087786 0.059 Uiso 1 1 calc R U . . .
H28E H -0.261338 0.039339 -0.131864 0.059 Uiso 1 1 calc R U . . .
H28F H -0.186870 0.003780 -0.060141 0.059 Uiso 1 1 calc R U . . .
C292 C 0.6034(2) 0.2893(2) 0.19357(17) 0.0379(7) Uani 1 1 d . . . . .
C302 C 0.7041(3) 0.3826(3) 0.2348(2) 0.0659(12) Uani 1 1 d . . . . .
H30D H 0.678278 0.433441 0.220731 0.099 Uiso 1 1 calc R U . . .
H30E H 0.770034 0.386505 0.215111 0.099 Uiso 1 1 calc R U . . .
H30F H 0.728497 0.387637 0.295020 0.099 Uiso 1 1 calc R U . . .
C312 C 0.6462(3) 0.2099(3) 0.2114(2) 0.0633(11) Uani 1 1 d . . . . .
H31D H 0.714464 0.218298 0.193305 0.095 Uiso 1 1 calc R U . . .
H31E H 0.583759 0.150207 0.181383 0.095 Uiso 1 1 calc R U . . .
H31F H 0.667838 0.210388 0.271002 0.095 Uiso 1 1 calc R U . . .
C322 C 0.5647(3) 0.2850(3) 0.09966(17) 0.0512(9) Uani 1 1 d . . . . .
H32D H 0.537380 0.335570 0.087687 0.077 Uiso 1 1 calc R U . . .
H32E H 0.501217 0.225034 0.071865 0.077 Uiso 1 1 calc R U . . .
H32F H 0.630917 0.291565 0.079523 0.077 Uiso 1 1 calc R U . . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_orient_matrix_type
_diffrn_orient_matrix_UB_11
_diffrn_orient_matrix_UB_12
_diffrn_orient_matrix_UB_13
_diffrn_orient_matrix_UB_21
_diffrn_orient_matrix_UB_22
_diffrn_orient_matrix_UB_23
_diffrn_orient_matrix_UB_31
_diffrn_orient_matrix_UB_32
_diffrn_orient_matrix_UB_33
'Nonius RMAT' 0.0232558 0.0574881 -0.0234236 -0.0450023 0.0257107 0.0280425
0.0711412 0.0295869 0.0499738
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
N11 Zn1 N21 91.16(8) . . ?
N11 Zn1 Cl11 113.22(6) . . ?
N21 Zn1 Cl11 112.57(6) . . ?
N11 Zn1 Cl21 111.81(6) . . ?
N21 Zn1 Cl21 106.09(6) . . ?
Cl11 Zn1 Cl21 118.45(3) . . ?
C11 N11 C51 118.9(2) . . ?
C11 N11 Zn1 122.80(18) . . ?
C51 N11 Zn1 118.27(15) . . ?
C111 N21 C71 119.0(2) . . ?
C111 N21 Zn1 122.25(17) . . ?
C71 N21 Zn1 117.61(15) . . ?
N11 C11 C21 122.2(3) . . ?
N11 C11 H11 118.9 . . ?
C21 C11 H11 118.9 . . ?
C11 C21 C31 119.3(2) . . ?
C11 C21 H21 120.3 . . ?
C31 C21 H21 120.3 . . ?
C21 C31 C41 118.9(2) . . ?
C21 C31 H31 120.5 . . ?
C41 C31 H31 120.5 . . ?
C51 C41 C31 119.0(2) . . ?
C51 C41 H41 120.5 . . ?
C31 C41 H41 120.5 . . ?
N11 C51 C41 121.6(2) . . ?
N11 C51 C61 116.6(2) . . ?
C41 C51 C61 121.8(2) . . ?
C121 C61 C51 121.8(2) . . ?
C121 C61 C71 124.3(2) . . ?
C51 C61 C71 113.9(2) . . ?
N21 C71 C81 121.5(2) . . ?
N21 C71 C61 116.6(2) . . ?
C81 C71 C61 121.5(2) . . ?
C71 C81 C91 118.9(2) . . ?
C71 C81 H81 120.6 . . ?
C91 C81 H81 120.6 . . ?
C101 C91 C81 119.2(2) . . ?
C101 C91 H91 120.4 . . ?
C81 C91 H91 120.4 . . ?
C111 C101 C91 119.1(2) . . ?
C111 C101 H101 120.5 . . ?
C91 C101 H101 120.5 . . ?
N21 C111 C101 122.3(2) . . ?
N21 C111 H111 118.9 . . ?
C101 C111 H111 118.9 . . ?
C61 C121 C191 123.2(2) . . ?
C61 C121 C131 120.2(2) . . ?
C191 C121 C131 116.2(2) . . ?
C141 C131 C181 118.5(2) . . ?
C141 C131 C121 118.9(2) . . ?
C181 C131 C121 122.7(2) . . ?
C131 C141 C151 120.9(3) . . ?
C131 C141 H141 119.5 . . ?
C151 C141 H141 119.5 . . ?
C161 C151 C141 121.9(3) . . ?
C161 C151 H151 119.0 . . ?
C141 C151 H151 119.0 . . ?
C151 C161 C171 116.6(2) . . ?
C151 C161 C251 122.0(3) . . ?
C171 C161 C251 121.3(3) . . ?
C161 C171 C181 122.1(3) . . ?
C161 C171 H171 119.0 . . ?
C181 C171 H171 119.0 . . ?
C131 C181 C171 120.0(3) . . ?
C131 C181 H181 120.0 . . ?
C171 C181 H181 120.0 . . ?
C241 C191 C201 117.9(2) . . ?
C241 C191 C121 122.2(2) . . ?
C201 C191 C121 119.7(2) . . ?
C211 C201 C191 120.9(2) . . ?
C211 C201 H201 119.6 . . ?
C191 C201 H201 119.6 . . ?
C201 C211 C221 121.8(2) . . ?
C201 C211 H211 119.1 . . ?
C221 C211 H211 119.1 . . ?
C211 C221 C231 116.6(2) . . ?
C211 C221 C291 123.3(2) . . ?
C231 C221 C291 120.1(2) . . ?
C241 C231 C221 122.2(2) . . ?
C241 C231 H231 118.9 . . ?
C221 C231 H231 118.9 . . ?
C231 C241 C191 120.7(2) . . ?
C231 C241 H241 119.7 . . ?
C191 C241 H241 119.7 . . ?
C271 C251 C281 111.1(3) . . ?
C271 C251 C261 109.4(3) . . ?
C281 C251 C261 106.3(3) . . ?
C271 C251 C161 108.2(3) . . ?
C281 C251 C161 110.5(2) . . ?
C261 C251 C161 111.4(3) . . ?
C251 C261 H26A 109.5 . . ?
C251 C261 H26B 109.5 . . ?
H26A C261 H26B 109.5 . . ?
C251 C261 H26C 109.5 . . ?
H26A C261 H26C 109.5 . . ?
H26B C261 H26C 109.5 . . ?
C251 C271 H27A 109.5 . . ?
C251 C271 H27B 109.5 . . ?
H27A C271 H27B 109.5 . . ?
C251 C271 H27C 109.5 . . ?
H27A C271 H27C 109.5 . . ?
H27B C271 H27C 109.5 . . ?
C251 C281 H28A 109.5 . . ?
C251 C281 H28B 109.5 . . ?
H28A C281 H28B 109.5 . . ?
C251 C281 H28C 109.5 . . ?
H28A C281 H28C 109.5 . . ?
H28B C281 H28C 109.5 . . ?
C301 C291 C221 112.7(2) . . ?
C301 C291 C311 108.6(2) . . ?
C221 C291 C311 108.8(2) . . ?
C301 C291 C321 108.7(2) . . ?
C221 C291 C321 108.6(2) . . ?
C311 C291 C321 109.3(2) . . ?
C291 C301 H30A 109.5 . . ?
C291 C301 H30B 109.5 . . ?
H30A C301 H30B 109.5 . . ?
C291 C301 H30C 109.5 . . ?
H30A C301 H30C 109.5 . . ?
H30B C301 H30C 109.5 . . ?
C291 C311 H31A 109.5 . . ?
C291 C311 H31B 109.5 . . ?
H31A C311 H31B 109.5 . . ?
C291 C311 H31C 109.5 . . ?
H31A C311 H31C 109.5 . . ?
H31B C311 H31C 109.5 . . ?
C291 C321 H32A 109.5 . . ?
C291 C321 H32B 109.5 . . ?
H32A C321 H32B 109.5 . . ?
C291 C321 H32C 109.5 . . ?
H32A C321 H32C 109.5 . . ?
H32B C321 H32C 109.5 . . ?
N12 Zn2 N22 91.54(8) . . ?
N12 Zn2 Cl12 113.27(6) . . ?
N22 Zn2 Cl12 114.93(6) . . ?
N12 Zn2 Cl22 109.47(6) . . ?
N22 Zn2 Cl22 105.58(6) . . ?
Cl12 Zn2 Cl22 118.60(3) . . ?
C12 N12 C52 119.0(2) . . ?
C12 N12 Zn2 122.58(17) . . ?
C52 N12 Zn2 118.15(16) . . ?
C112 N22 C72 118.8(2) . . ?
C112 N22 Zn2 123.09(17) . . ?
C72 N22 Zn2 116.43(15) . . ?
N12 C12 C22 122.5(2) . . ?
N12 C12 H12 118.7 . . ?
C22 C12 H12 118.7 . . ?
C12 C22 C32 118.6(2) . . ?
C12 C22 H22 120.7 . . ?
C32 C22 H22 120.7 . . ?
C42 C32 C22 119.3(2) . . ?
C42 C32 H32 120.3 . . ?
C22 C32 H32 120.3 . . ?
C52 C42 C32 119.3(2) . . ?
C52 C42 H42 120.4 . . ?
C32 C42 H42 120.4 . . ?
N12 C52 C42 121.2(2) . . ?
N12 C52 C62 115.5(2) . . ?
C42 C52 C62 123.2(2) . . ?
C122 C62 C72 125.5(2) . . ?
C122 C62 C52 122.0(2) . . ?
C72 C62 C52 112.51(19) . . ?
N22 C72 C82 121.3(2) . . ?
N22 C72 C62 116.6(2) . . ?
C82 C72 C62 121.7(2) . . ?
C72 C82 C92 119.1(2) . . ?
C72 C82 H82 120.4 . . ?
C92 C82 H82 120.4 . . ?
C102 C92 C82 119.5(2) . . ?
C102 C92 H92 120.3 . . ?
C82 C92 H92 120.3 . . ?
C92 C102 C112 118.7(2) . . ?
C92 C102 H102 120.6 . . ?
C112 C102 H102 120.6 . . ?
N22 C112 C102 122.4(2) . . ?
N22 C112 H112 118.8 . . ?
C102 C112 H112 118.8 . . ?
C62 C122 C192 123.6(2) . . ?
C62 C122 C132 120.1(2) . . ?
C192 C122 C132 115.8(2) . . ?
C142 C132 C182 118.5(2) . . ?
C142 C132 C122 119.3(2) . . ?
C182 C132 C122 122.2(2) . . ?
C132 C142 C152 121.1(2) . . ?
C132 C142 H142 119.5 . . ?
C152 C142 H142 119.5 . . ?
C162 C152 C142 121.4(2) . . ?
C162 C152 H152 119.3 . . ?
C142 C152 H152 119.3 . . ?
C152 C162 C172 116.6(2) . . ?
C152 C162 C252 122.6(2) . . ?
C172 C162 C252 120.8(2) . . ?
C182 C172 C162 122.4(2) . . ?
C182 C172 H172 118.8 . . ?
C162 C172 H172 118.8 . . ?
C172 C182 C132 120.0(2) . . ?
C172 C182 H182 120.0 . . ?
C132 C182 H182 120.0 . . ?
C202 C192 C242 117.4(2) . . ?
C202 C192 C122 121.9(2) . . ?
C242 C192 C122 120.4(2) . . ?
C192 C202 C212 120.9(2) . . ?
C192 C202 H202 119.5 . . ?
C212 C202 H202 119.5 . . ?
C222 C212 C202 122.0(2) . . ?
C222 C212 H212 119.0 . . ?
C202 C212 H212 119.0 . . ?
C212 C222 C232 116.6(2) . . ?
C212 C222 C292 124.2(2) . . ?
C232 C222 C292 119.2(2) . . ?
C242 C232 C222 121.8(2) . . ?
C242 C232 H232 119.1 . . ?
C222 C232 H232 119.1 . . ?
C232 C242 C192 121.1(2) . . ?
C232 C242 H242 119.4 . . ?
C192 C242 H242 119.4 . . ?
C262 C252 C162 112.3(2) . . ?
C262 C252 C272 109.1(2) . . ?
C162 C252 C272 109.3(2) . . ?
C262 C252 C282 108.4(2) . . ?
C162 C252 C282 108.7(2) . . ?
C272 C252 C282 109.0(2) . . ?
C252 C262 H26D 109.5 . . ?
C252 C262 H26E 109.5 . . ?
H26D C262 H26E 109.5 . . ?
C252 C262 H26F 109.5 . . ?
H26D C262 H26F 109.5 . . ?
H26E C262 H26F 109.5 . . ?
C252 C272 H27D 109.5 . . ?
C252 C272 H27E 109.5 . . ?
H27D C272 H27E 109.5 . . ?
C252 C272 H27F 109.5 . . ?
H27D C272 H27F 109.5 . . ?
H27E C272 H27F 109.5 . . ?
C252 C282 H28D 109.5 . . ?
C252 C282 H28E 109.5 . . ?
H28D C282 H28E 109.5 . . ?
C252 C282 H28F 109.5 . . ?
H28D C282 H28F 109.5 . . ?
H28E C282 H28F 109.5 . . ?
C302 C292 C222 112.3(2) . . ?
C302 C292 C312 109.3(3) . . ?
C222 C292 C312 109.9(3) . . ?
C302 C292 C322 108.1(3) . . ?
C222 C292 C322 108.3(2) . . ?
C312 C292 C322 108.9(3) . . ?
C292 C302 H30D 109.5 . . ?
C292 C302 H30E 109.5 . . ?
H30D C302 H30E 109.5 . . ?
C292 C302 H30F 109.5 . . ?
H30D C302 H30F 109.5 . . ?
H30E C302 H30F 109.5 . . ?
C292 C312 H31D 109.5 . . ?
C292 C312 H31E 109.5 . . ?
H31D C312 H31E 109.5 . . ?
C292 C312 H31F 109.5 . . ?
H31D C312 H31F 109.5 . . ?
H31E C312 H31F 109.5 . . ?
C292 C322 H32D 109.5 . . ?
C292 C322 H32E 109.5 . . ?
H32D C322 H32E 109.5 . . ?
C292 C322 H32F 109.5 . . ?
H32D C322 H32F 109.5 . . ?
H32E C322 H32F 109.5 . . ?
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 N11 2.051(2) . ?
Zn1 N21 2.064(2) . ?
Zn1 Cl11 2.2045(7) . ?
Zn1 Cl21 2.2164(7) . ?
N11 C11 1.346(3) . ?
N11 C51 1.350(3) . ?
N21 C111 1.349(3) . ?
N21 C71 1.350(3) . ?
C11 C21 1.373(4) . ?
C11 H11 0.9500 . ?
C21 C31 1.382(4) . ?
C21 H21 0.9500 . ?
C31 C41 1.390(4) . ?
C31 H31 0.9500 . ?
C41 C51 1.386(3) . ?
C41 H41 0.9500 . ?
C51 C61 1.493(3) . ?
C61 C121 1.333(3) . ?
C61 C71 1.503(3) . ?
C71 C81 1.380(3) . ?
C81 C91 1.396(3) . ?
C81 H81 0.9500 . ?
C91 C101 1.378(4) . ?
C91 H91 0.9500 . ?
C101 C111 1.371(4) . ?
C101 H101 0.9500 . ?
C111 H111 0.9500 . ?
C121 C191 1.502(3) . ?
C121 C131 1.509(3) . ?
C131 C141 1.378(4) . ?
C131 C181 1.385(4) . ?
C141 C151 1.388(4) . ?
C141 H141 0.9500 . ?
C151 C161 1.385(4) . ?
C151 H151 0.9500 . ?
C161 C171 1.387(4) . ?
C161 C251 1.542(4) . ?
C171 C181 1.400(4) . ?
C171 H171 0.9500 . ?
C181 H181 0.9500 . ?
C191 C241 1.387(3) . ?
C191 C201 1.391(3) . ?
C201 C211 1.388(3) . ?
C201 H201 0.9500 . ?
C211 C221 1.390(4) . ?
C211 H211 0.9500 . ?
C221 C231 1.392(4) . ?
C221 C291 1.535(3) . ?
C231 C241 1.385(3) . ?
C231 H231 0.9500 . ?
C241 H241 0.9500 . ?
C251 C271 1.510(5) . ?
C251 C281 1.531(4) . ?
C251 C261 1.538(5) . ?
C261 H26A 0.9800 . ?
C261 H26B 0.9800 . ?
C261 H26C 0.9800 . ?
C271 H27A 0.9800 . ?
C271 H27B 0.9800 . ?
C271 H27C 0.9800 . ?
C281 H28A 0.9800 . ?
C281 H28B 0.9800 . ?
C281 H28C 0.9800 . ?
C291 C301 1.519(4) . ?
C291 C311 1.540(4) . ?
C291 C321 1.541(4) . ?
C301 H30A 0.9800 . ?
C301 H30B 0.9800 . ?
C301 H30C 0.9800 . ?
C311 H31A 0.9800 . ?
C311 H31B 0.9800 . ?
C311 H31C 0.9800 . ?
C321 H32A 0.9800 . ?
C321 H32B 0.9800 . ?
C321 H32C 0.9800 . ?
Zn2 N12 2.046(2) . ?
Zn2 N22 2.061(2) . ?
Zn2 Cl12 2.1995(7) . ?
Zn2 Cl22 2.2164(7) . ?
N12 C12 1.341(3) . ?
N12 C52 1.352(3) . ?
N22 C112 1.347(3) . ?
N22 C72 1.354(3) . ?
C12 C22 1.376(3) . ?
C12 H12 0.9500 . ?
C22 C32 1.384(4) . ?
C22 H22 0.9500 . ?
C32 C42 1.383(4) . ?
C32 H32 0.9500 . ?
C42 C52 1.383(3) . ?
C42 H42 0.9500 . ?
C52 C62 1.500(3) . ?
C62 C122 1.342(3) . ?
C62 C72 1.497(3) . ?
C72 C82 1.384(3) . ?
C82 C92 1.387(3) . ?
C82 H82 0.9500 . ?
C92 C102 1.378(4) . ?
C92 H92 0.9500 . ?
C102 C112 1.379(4) . ?
C102 H102 0.9500 . ?
C112 H112 0.9500 . ?
C122 C192 1.491(3) . ?
C122 C132 1.502(3) . ?
C132 C142 1.376(4) . ?
C132 C182 1.392(3) . ?
C142 C152 1.395(3) . ?
C142 H142 0.9500 . ?
C152 C162 1.392(4) . ?
C152 H152 0.9500 . ?
C162 C172 1.392(4) . ?
C162 C252 1.531(3) . ?
C172 C182 1.389(3) . ?
C172 H172 0.9500 . ?
C182 H182 0.9500 . ?
C192 C202 1.391(3) . ?
C192 C242 1.393(3) . ?
C202 C212 1.392(4) . ?
C202 H202 0.9500 . ?
C212 C222 1.385(4) . ?
C212 H212 0.9500 . ?
C222 C232 1.397(4) . ?
C222 C292 1.532(4) . ?
C232 C242 1.385(4) . ?
C232 H232 0.9500 . ?
C242 H242 0.9500 . ?
C252 C262 1.522(4) . ?
C252 C272 1.539(4) . ?
C252 C282 1.542(4) . ?
C262 H26D 0.9800 . ?
C262 H26E 0.9800 . ?
C262 H26F 0.9800 . ?
C272 H27D 0.9800 . ?
C272 H27E 0.9800 . ?
C272 H27F 0.9800 . ?
C282 H28D 0.9800 . ?
C282 H28E 0.9800 . ?
C282 H28F 0.9800 . ?
C292 C302 1.529(4) . ?
C292 C312 1.534(5) . ?
C292 C322 1.536(4) . ?
C302 H30D 0.9800 . ?
C302 H30E 0.9800 . ?
C302 H30F 0.9800 . ?
C312 H31D 0.9800 . ?
C312 H31E 0.9800 . ?
C312 H31F 0.9800 . ?
C322 H32D 0.9800 . ?
C322 H32E 0.9800 . ?
C322 H32F 0.9800 . ?
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
C51 N11 C11 C21 0.1(4) . . . . ?
Zn1 N11 C11 C21 -177.27(19) . . . . ?
N11 C11 C21 C31 1.0(4) . . . . ?
C11 C21 C31 C41 -0.7(4) . . . . ?
C21 C31 C41 C51 -0.7(4) . . . . ?
C11 N11 C51 C41 -1.6(4) . . . . ?
Zn1 N11 C51 C41 175.91(18) . . . . ?
C11 N11 C51 C61 -178.6(2) . . . . ?
Zn1 N11 C51 C61 -1.1(3) . . . . ?
C31 C41 C51 N11 1.9(4) . . . . ?
C31 C41 C51 C61 178.8(2) . . . . ?
N11 C51 C61 C121 -120.7(3) . . . . ?
C41 C51 C61 C121 62.3(3) . . . . ?
N11 C51 C61 C71 61.5(3) . . . . ?
C41 C51 C61 C71 -115.5(3) . . . . ?
C111 N21 C71 C81 2.1(3) . . . . ?
Zn1 N21 C71 C81 -165.85(17) . . . . ?
C111 N21 C71 C61 175.7(2) . . . . ?
Zn1 N21 C71 C61 7.7(3) . . . . ?
C121 C61 C71 N21 116.6(3) . . . . ?
C51 C61 C71 N21 -65.7(3) . . . . ?
C121 C61 C71 C81 -69.8(3) . . . . ?
C51 C61 C71 C81 107.9(3) . . . . ?
N21 C71 C81 C91 -0.1(4) . . . . ?
C61 C71 C81 C91 -173.4(2) . . . . ?
C71 C81 C91 C101 -2.0(4) . . . . ?
C81 C91 C101 C111 2.1(4) . . . . ?
C71 N21 C111 C101 -2.1(4) . . . . ?
Zn1 N21 C111 C101 165.3(2) . . . . ?
C91 C101 C111 N21 0.0(4) . . . . ?
C51 C61 C121 C191 176.3(2) . . . . ?
C71 C61 C121 C191 -6.1(4) . . . . ?
C51 C61 C121 C131 4.2(4) . . . . ?
C71 C61 C121 C131 -178.2(2) . . . . ?
C61 C121 C131 C141 67.4(3) . . . . ?
C191 C121 C131 C141 -105.1(3) . . . . ?
C61 C121 C131 C181 -112.5(3) . . . . ?
C191 C121 C131 C181 74.9(3) . . . . ?
C181 C131 C141 C151 -0.6(4) . . . . ?
C121 C131 C141 C151 179.5(2) . . . . ?
C131 C141 C151 C161 0.4(4) . . . . ?
C141 C151 C161 C171 0.3(4) . . . . ?
C141 C151 C161 C251 177.8(3) . . . . ?
C151 C161 C171 C181 -0.8(4) . . . . ?
C251 C161 C171 C181 -178.4(3) . . . . ?
C141 C131 C181 C171 0.1(4) . . . . ?
C121 C131 C181 C171 -180.0(3) . . . . ?
C161 C171 C181 C131 0.6(5) . . . . ?
C61 C121 C191 C241 126.7(3) . . . . ?
C131 C121 C191 C241 -61.0(3) . . . . ?
C61 C121 C191 C201 -58.2(3) . . . . ?
C131 C121 C191 C201 114.1(3) . . . . ?
C241 C191 C201 C211 0.6(4) . . . . ?
C121 C191 C201 C211 -174.7(2) . . . . ?
C191 C201 C211 C221 -0.7(4) . . . . ?
C201 C211 C221 C231 0.0(4) . . . . ?
C201 C211 C221 C291 178.1(2) . . . . ?
C211 C221 C231 C241 0.9(4) . . . . ?
C291 C221 C231 C241 -177.3(2) . . . . ?
C221 C231 C241 C191 -1.1(4) . . . . ?
C201 C191 C241 C231 0.3(4) . . . . ?
C121 C191 C241 C231 175.5(2) . . . . ?
C151 C161 C251 C271 -95.8(4) . . . . ?
C171 C161 C251 C271 81.7(4) . . . . ?
C151 C161 C251 C281 142.4(3) . . . . ?
C171 C161 C251 C281 -40.1(4) . . . . ?
C151 C161 C251 C261 24.5(4) . . . . ?
C171 C161 C251 C261 -158.0(3) . . . . ?
C211 C221 C291 C301 1.0(4) . . . . ?
C231 C221 C291 C301 179.1(2) . . . . ?
C211 C221 C291 C311 121.6(3) . . . . ?
C231 C221 C291 C311 -60.3(3) . . . . ?
C211 C221 C291 C321 -119.5(3) . . . . ?
C231 C221 C291 C321 58.5(3) . . . . ?
C52 N12 C12 C22 -0.1(4) . . . . ?
Zn2 N12 C12 C22 -174.53(19) . . . . ?
N12 C12 C22 C32 0.4(4) . . . . ?
C12 C22 C32 C42 0.1(4) . . . . ?
C22 C32 C42 C52 -0.8(4) . . . . ?
C12 N12 C52 C42 -0.6(3) . . . . ?
Zn2 N12 C52 C42 174.06(18) . . . . ?
C12 N12 C52 C62 -176.8(2) . . . . ?
Zn2 N12 C52 C62 -2.2(3) . . . . ?
C32 C42 C52 N12 1.1(4) . . . . ?
C32 C42 C52 C62 177.0(2) . . . . ?
N12 C52 C62 C122 -117.2(3) . . . . ?
C42 C52 C62 C122 66.6(3) . . . . ?
N12 C52 C62 C72 63.9(3) . . . . ?
C42 C52 C62 C72 -112.3(3) . . . . ?
C112 N22 C72 C82 2.3(3) . . . . ?
Zn2 N22 C72 C82 -163.48(18) . . . . ?
C112 N22 C72 C62 175.4(2) . . . . ?
Zn2 N22 C72 C62 9.7(3) . . . . ?
C122 C62 C72 N22 112.2(3) . . . . ?
C52 C62 C72 N22 -69.0(3) . . . . ?
C122 C62 C72 C82 -74.7(3) . . . . ?
C52 C62 C72 C82 104.2(3) . . . . ?
N22 C72 C82 C92 -0.1(4) . . . . ?
C62 C72 C82 C92 -172.9(2) . . . . ?
C72 C82 C92 C102 -2.3(4) . . . . ?
C82 C92 C102 C112 2.6(4) . . . . ?
C72 N22 C112 C102 -2.0(4) . . . . ?
Zn2 N22 C112 C102 162.71(19) . . . . ?
C92 C102 C112 N22 -0.4(4) . . . . ?
C72 C62 C122 C192 -7.4(4) . . . . ?
C52 C62 C122 C192 173.8(2) . . . . ?
C72 C62 C122 C132 -179.4(2) . . . . ?
C52 C62 C122 C132 1.8(4) . . . . ?
C62 C122 C132 C142 77.8(3) . . . . ?
C192 C122 C132 C142 -94.8(3) . . . . ?
C62 C122 C132 C182 -105.1(3) . . . . ?
C192 C122 C132 C182 82.3(3) . . . . ?
C182 C132 C142 C152 -0.8(4) . . . . ?
C122 C132 C142 C152 176.4(2) . . . . ?
C132 C142 C152 C162 -0.6(4) . . . . ?
C142 C152 C162 C172 1.7(4) . . . . ?
C142 C152 C162 C252 -177.3(2) . . . . ?
C152 C162 C172 C182 -1.5(4) . . . . ?
C252 C162 C172 C182 177.6(2) . . . . ?
C162 C172 C182 C132 0.1(4) . . . . ?
C142 C132 C182 C172 1.0(4) . . . . ?
C122 C132 C182 C172 -176.1(2) . . . . ?
C62 C122 C192 C202 -46.5(4) . . . . ?
C132 C122 C192 C202 125.8(3) . . . . ?
C62 C122 C192 C242 138.8(3) . . . . ?
C132 C122 C192 C242 -48.9(3) . . . . ?
C242 C192 C202 C212 -0.5(4) . . . . ?
C122 C192 C202 C212 -175.4(2) . . . . ?
C192 C202 C212 C222 0.9(4) . . . . ?
C202 C212 C222 C232 -1.1(4) . . . . ?
C202 C212 C222 C292 177.1(3) . . . . ?
C212 C222 C232 C242 1.1(4) . . . . ?
C292 C222 C232 C242 -177.3(3) . . . . ?
C222 C232 C242 C192 -0.8(4) . . . . ?
C202 C192 C242 C232 0.5(4) . . . . ?
C122 C192 C242 C232 175.4(2) . . . . ?
C152 C162 C252 C262 4.1(4) . . . . ?
C172 C162 C252 C262 -174.9(2) . . . . ?
C152 C162 C252 C272 -117.1(3) . . . . ?
C172 C162 C252 C272 63.9(3) . . . . ?
C152 C162 C252 C282 124.0(3) . . . . ?
C172 C162 C252 C282 -55.0(3) . . . . ?
C212 C222 C292 C302 5.6(4) . . . . ?
C232 C222 C292 C302 -176.2(3) . . . . ?
C212 C222 C292 C312 127.4(3) . . . . ?
C232 C222 C292 C312 -54.3(3) . . . . ?
C212 C222 C292 C322 -113.7(3) . . . . ?
C232 C222 C292 C322 64.5(4) . . . . ?
