#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:16:27 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179369 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/66/4326623.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_4326623
loop_
_publ_author_name
'Yupu Liu'
'Youying Di'
'Donghua He'
'Qian Zhou'
'Jianmin Dou'
_publ_section_title
;
 Crystal Structures, Lattice Potential Energies, and Thermochemical
 Properties of Crystalline Compounds (1-CnH2n+1NH3)2ZnCl4(s) (n= 8, 10,
 12, and 13)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10755
_journal_page_last               10764
_journal_paper_doi               10.1021/ic2012974
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C26 H60 Cl4 N2 Zn'
_chemical_formula_weight         607.93
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 94.2900(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6300(10)
_cell_length_b                   7.3041(8)
_cell_length_c                   43.984(4)
_cell_measurement_reflns_used    4209
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      19.8205
_cell_measurement_theta_min      3.244
_cell_volume                     3405.5(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_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  0.0560
_diffrn_reflns_av_sigmaI/netI    0.0689
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_number            16556
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    1.051
_exptl_absorpt_correction_T_max  0.8755
_exptl_absorpt_correction_T_min  0.6324
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.186
_exptl_crystal_description       block
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.983
_refine_diff_density_min         -1.294
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         6288
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.1792
_refine_ls_R_factor_gt           0.1495
_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)+(0.0000P)²+58.0536P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2763
_refine_ls_wR_factor_ref         0.2895
_reflns_number_gt                4544
_reflns_number_total             6288
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2012974_si_001_3.cif
_cod_data_source_block           C26H60Cl4N2Zn
_cod_database_code               4326623
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.27194(8) 0.2500 0.01471(2) 0.0452(3) Uani 1 2 d S
Zn2 Zn 0.25977(8) 0.2500 0.48461(2) 0.0494(3) Uani 1 2 d S
Cl1 Cl 0.47672(19) 0.2500 0.03152(5) 0.0682(8) Uani 1 2 d S
Cl2 Cl 0.2542(3) 0.2500 -0.03624(6) 0.1107(15) Uani 1 2 d S
Cl3 Cl 0.17308(16) 0.0006(3) 0.03108(5) 0.1046(6) Uani 1 1 d .
Cl4 Cl 0.2652(3) 0.2500 0.53528(7) 0.1159(15) Uani 1 2 d S
Cl5 Cl 0.4576(2) 0.2500 0.46992(6) 0.0723(8) Uani 1 2 d S
Cl6 Cl 0.15326(17) 0.4987(3) 0.46746(5) 0.1111(7) Uani 1 1 d .
N1 N 0.8853(7) 0.2963(14) 0.47092(18) 0.062(4) Uani 0.50 1 d P
H1A H 0.9346 0.2004 0.4756 0.093 Uiso 0.50 1 d PR
H1B H 0.8461 0.3299 0.4872 0.093 Uiso 0.50 1 d PR
H1C H 0.9320 0.3889 0.4650 0.093 Uiso 0.50 1 d PR
N2 N 0.4148(7) 0.7500 0.45726(16) 0.084(3) Uani 1 2 d S
H2A H 0.3668 0.8388 0.4640 0.126 Uiso 0.50 1 d PR
H2B H 0.4948 0.7687 0.4640 0.126 Uiso 0.50 1 d PR
H2C H 0.3891 0.6425 0.4640 0.126 Uiso 0.50 1 d PR
N3 N 0.4392(6) 0.7500 0.04212(14) 0.060(2) Uani 1 2 d S
H3A H 0.3715 0.6952 0.0331 0.090 Uiso 0.50 1 d PR
H3B H 0.5083 0.6900 0.0376 0.090 Uiso 0.50 1 d PR
H3C H 0.4430 0.8648 0.0355 0.090 Uiso 0.50 1 d PR
N4 N 0.9105(7) 0.1923(16) 0.03110(19) 0.072(5) Uani 0.50 1 d P
H4A H 0.9321 0.2861 0.0197 0.107 Uiso 0.50 1 d PR
H4B H 0.8717 0.1076 0.0193 0.107 Uiso 0.50 1 d PR
H4C H 0.9795 0.1443 0.0407 0.107 Uiso 0.50 1 d PR
C1 C 0.7962(9) 0.2500 0.4475(2) 0.074(3) Uani 1 2 d S
H1D H 0.7706 0.1264 0.4522 0.088 Uiso 0.50 1 d PR
H1E H 0.7238 0.3269 0.4505 0.088 Uiso 0.50 1 d PR
C2 C 0.8027(8) 0.2500 0.41642(19) 0.061(3) Uani 1 2 d S
H2D H 0.8786 0.1821 0.4128 0.073 Uiso 0.50 1 d PR
H2E H 0.8178 0.3758 0.4106 0.073 Uiso 0.50 1 d PR
C3 C 0.7053(10) 0.1920(17) 0.3944(2) 0.066(5) Uani 0.50 1 d P
H3D H 0.6240 0.2265 0.4013 0.079 Uiso 0.50 1 d PR
H3E H 0.7094 0.0593 0.3942 0.079 Uiso 0.50 1 d PR
C4 C 0.7127(8) 0.2500 0.36213(19) 0.060(3) Uani 1 2 d S
H4D H 0.7959 0.2225 0.3557 0.073 Uiso 0.50 1 d PR
H4E H 0.7026 0.3820 0.3621 0.073 Uiso 0.50 1 d PR
C5 C 0.6134(10) 0.1770(17) 0.3398(2) 0.064(4) Uani 0.50 1 d P
H5A H 0.5299 0.2000 0.3464 0.076 Uiso 0.50 1 d PR
H5B H 0.6257 0.0456 0.3389 0.076 Uiso 0.50 1 d PR
C6 C 0.6218(8) 0.2500 0.30627(19) 0.058(3) Uani 1 2 d S
H6A H 0.6128 0.3819 0.3076 0.070 Uiso 0.50 1 d PR
H6B H 0.7050 0.2242 0.2997 0.070 Uiso 0.50 1 d PR
C7 C 0.5204(10) 0.1787(17) 0.2827(2) 0.059(4) Uani 0.50 1 d P
H7A H 0.5277 0.0465 0.2818 0.071 Uiso 0.50 1 d PR
H7B H 0.4371 0.2078 0.2890 0.071 Uiso 0.50 1 d PR
C8 C 0.5336(7) 0.2500 0.25158(19) 0.056(3) Uani 1 2 d S
H8A H 0.6162 0.2176 0.2453 0.067 Uiso 0.50 1 d PR
H8B H 0.5297 0.3824 0.2529 0.067 Uiso 0.50 1 d PR
C9 C 0.4338(9) 0.1851(17) 0.2282(2) 0.058(4) Uani 0.50 1 d P
H9A H 0.4351 0.0523 0.2279 0.070 Uiso 0.50 1 d PR
H9B H 0.3518 0.2222 0.2344 0.070 Uiso 0.50 1 d PR
C10 C 0.4433(7) 0.2500 0.19605(18) 0.058(3) Uani 1 2 d S
H10A H 0.5237 0.2078 0.1896 0.070 Uiso 0.50 1 d PR
H10B H 0.4465 0.3827 0.1967 0.070 Uiso 0.50 1 d PR
C11 C 0.3461(9) 0.1990(18) 0.1728(2) 0.063(5) Uani 0.50 1 d P
H11A H 0.3397 0.0665 0.1730 0.075 Uiso 0.50 1 d PR
H11B H 0.2664 0.2500 0.1787 0.075 Uiso 1 2 d SR
C12 C 0.3566(8) 0.2500 0.1415(2) 0.070(3) Uani 1 2 d S
H12A H 0.4244 0.1758 0.1345 0.084 Uiso 0.50 1 d PR
H12B H 0.3883 0.3745 0.1428 0.084 Uiso 0.50 1 d PR
C13 C 0.2579(11) 0.2500 0.1179(2) 0.111(5) Uani 1 2 d S
H13A H 0.2926 0.2909 0.0995 0.167 Uiso 0.50 1 d PR
H13B H 0.1911 0.3308 0.1228 0.167 Uiso 0.50 1 d PR
H13C H 0.2252 0.1282 0.1150 0.167 Uiso 0.50 1 d PR
C14 C 0.4069(12) 0.7500 0.4256(3) 0.107(5) Uani 1 2 d S
H14A H 0.3188 0.7310 0.4188 0.128 Uiso 0.50 1 d PR
H14B H 0.4294 0.8714 0.4189 0.128 Uiso 0.50 1 d PR
C15 C 0.4673(15) 0.655(3) 0.4116(3) 0.108(7) Uani 0.50 1 d P
H15A H 0.4333 0.5356 0.4162 0.130 Uiso 0.50 1 d PR
H15B H 0.5515 0.6591 0.4218 0.130 Uiso 0.50 1 d PR
C16 C 0.4768(14) 0.661(2) 0.3783(3) 0.103(7) Uani 0.50 1 d P
H16A H 0.4782 0.5349 0.3717 0.123 Uiso 0.50 1 d PR
H16B H 0.5588 0.7137 0.3753 0.123 Uiso 0.50 1 d PR
C17 C 0.3793(11) 0.7500 0.3556(2) 0.098(5) Uani 1 2 d S
H17A H 0.2950 0.7274 0.3618 0.117 Uiso 0.50 1 d PR
H17B H 0.3952 0.8808 0.3560 0.117 Uiso 0.50 1 d PR
C18 C 0.3908(12) 0.686(2) 0.3234(3) 0.092(7) Uani 0.50 1 d P
H18A H 0.3813 0.5543 0.3241 0.110 Uiso 0.50 1 d PR
H18B H 0.4750 0.7132 0.3176 0.110 Uiso 0.50 1 d PR
C19 C 0.2960(10) 0.7500 0.2996(2) 0.090(4) Uani 1 2 d S
H19A H 0.2126 0.7237 0.3060 0.108 Uiso 0.50 1 d PR
H19B H 0.3059 0.8820 0.2995 0.108 Uiso 0.50 1 d PR
C20 C 0.2987(12) 0.695(2) 0.2678(3) 0.091(7) Uani 0.50 1 d P
H20A H 0.2942 0.5627 0.2682 0.109 Uiso 0.50 1 d PR
H20B H 0.3810 0.7273 0.2612 0.109 Uiso 0.50 1 d PR
C21 C 0.2078(11) 0.7500 0.2446(2) 0.092(4) Uani 1 2 d S
H21A H 0.1315 0.6839 0.2485 0.110 Uiso 0.50 1 d PR
H21B H 0.1924 0.8765 0.2499 0.110 Uiso 0.50 1 d PR
C22 C 0.2074(11) 0.7500 0.2134(2) 0.099(5) Uani 1 2 d S
H22A H 0.2588 0.6443 0.2093 0.119 Uiso 1 1 d R
C23 C 0.1165(11) 0.7500 0.1888(2) 0.093(4) Uani 1 2 d S
H23A H 0.0650 0.6443 0.1928 0.112 Uiso 1 1 d R
C24 C 0.1140(11) 0.7500 0.1574(3) 0.099(5) Uani 1 2 d S
H24A H 0.1656 0.6444 0.1534 0.119 Uiso 1 1 d R
C25 C 0.0270(11) 0.7500 0.1331(3) 0.100(5) Uani 1 2 d S
H25A H -0.0248 0.6443 0.1369 0.120 Uiso 1 1 d R
C26 C 0.0287(11) 0.7500 0.1014(2) 0.097(5) Uani 1 2 d S
H26A H 0.0669 0.6380 0.0953 0.146 Uiso 0.50 1 d PR
H26B H 0.0789 0.8519 0.0957 0.146 Uiso 0.50 1 d PR
H26C H -0.0546 0.7500 0.0915 0.146 Uiso 1 2 d SR
C27 C 0.4295(9) 0.7500 0.07207(19) 0.068(3) Uani 1 2 d S
H27A H 0.3511 0.6882 0.0755 0.082 Uiso 0.50 1 d PR
H27B H 0.4179 0.8770 0.0777 0.082 Uiso 0.50 1 d PR
C28 C 0.5200(10) 0.6857(15) 0.0937(2) 0.055(4) Uani 0.50 1 d P
H28A H 0.6033 0.7129 0.0872 0.066 Uiso 0.50 1 d PR
H28B H 0.5111 0.5535 0.0939 0.066 Uiso 0.50 1 d PR
C29 C 0.5129(8) 0.7500 0.12636(17) 0.053(2) Uani 1 2 d S
H29A H 0.4297 0.7229 0.1329 0.064 Uiso 0.50 1 d PR
H29B H 0.5221 0.8821 0.1262 0.064 Uiso 0.50 1 d PR
C30 C 0.6095(10) 0.6870(14) 0.1496(2) 0.053(3) Uani 0.50 1 d P
H30A H 0.5976 0.5556 0.1507 0.063 Uiso 0.50 1 d PR
H30B H 0.6929 0.7088 0.1428 0.063 Uiso 0.50 1 d PR
C31 C 0.6043(8) 0.7500 0.18096(18) 0.052(2) Uani 1 2 d S
H31A H 0.5205 0.7293 0.1876 0.063 Uiso 0.50 1 d PR
H31B H 0.6167 0.8813 0.1798 0.063 Uiso 0.50 1 d PR
C32 C 0.6999(9) 0.6844(14) 0.2041(2) 0.051(3) Uani 0.50 1 d P
H32A H 0.6878 0.5530 0.2051 0.061 Uiso 0.50 1 d PR
H32B H 0.7835 0.7056 0.1975 0.061 Uiso 0.50 1 d PR
C33 C 0.6974(7) 0.7500 0.23637(17) 0.047(2) Uani 1 2 d S
H33A H 0.7111 0.8812 0.2356 0.057 Uiso 0.50 1 d PR
H33B H 0.6136 0.7302 0.2431 0.057 Uiso 0.50 1 d PR
C34 C 0.7911(9) 0.6794(14) 0.2596(2) 0.050(3) Uani 0.50 1 d P
H34A H 0.8750 0.6980 0.2529 0.060 Uiso 0.50 1 d PR
H34B H 0.7768 0.5485 0.2607 0.060 Uiso 0.50 1 d PR
C35 C 0.7859(7) 0.7500 0.29083(17) 0.047(2) Uani 1 2 d S
H35A H 0.8013 0.8807 0.2899 0.056 Uiso 0.50 1 d PR
H35B H 0.7022 0.7319 0.2977 0.056 Uiso 0.50 1 d PR
C36 C 0.8816(10) 0.6716(15) 0.3143(2) 0.052(3) Uani 0.50 1 d P
H36A H 0.9653 0.6893 0.3074 0.062 Uiso 0.50 1 d PR
H36B H 0.8661 0.5409 0.3152 0.062 Uiso 0.50 1 d PR
C37 C 0.8762(8) 0.7500 0.34672(19) 0.053(2) Uani 1 2 d S
H37A H 0.8898 0.8811 0.3458 0.064 Uiso 0.50 1 d PR
H37B H 0.7936 0.7289 0.3540 0.064 Uiso 0.50 1 d PR
C38 C 0.9736(11) 0.6692(16) 0.3695(3) 0.060(4) Uani 0.50 1 d P
H38A H 1.0560 0.6872 0.3619 0.072 Uiso 0.50 1 d PR
H38B H 0.9586 0.5385 0.3709 0.072 Uiso 0.50 1 d PR
C39 C 0.9728(9) 0.7500 0.3998(2) 0.062(3) Uani 1 2 d S
H39A H 1.0369 0.6956 0.4135 0.094 Uiso 0.50 1 d PR
H39B H 0.8916 0.7300 0.4074 0.094 Uiso 0.50 1 d PR
H39C H 0.9880 0.8791 0.3984 0.094 Uiso 0.50 1 d PR
C40 C 0.8327(8) 0.2500 0.0519(2) 0.076(3) Uani 1 2 d S
H40A H 0.7550 0.1825 0.0475 0.091 Uiso 0.50 1 d PR
H40B H 0.8138 0.3762 0.0464 0.091 Uiso 0.50 1 d PR
C41 C 0.8499(9) 0.2500 0.0836(2) 0.076(3) Uani 1 2 d S
H41A H 0.9026 0.3560 0.0885 0.091 Uiso 0.50 1 d PR
H41B H 0.9026 0.1440 0.0885 0.091 Uiso 0.50 1 d PR
C42 C 0.7586(8) 0.2500 0.1049(2) 0.077(4) Uani 1 2 d S
H42A H 0.6877 0.1831 0.0952 0.092 Uiso 0.50 1 d PR
H42B H 0.7311 0.3764 0.1057 0.092 Uiso 0.50 1 d PR
C43 C 0.7670(10) 0.196(2) 0.1371(2) 0.073(6) Uani 0.50 1 d P
H43A H 0.7673 0.0632 0.1370 0.088 Uiso 0.50 1 d PR
H43B H 0.6896 0.2342 0.1456 0.088 Uiso 0.50 1 d PR
C44 C 0.8731(8) 0.2500 0.1589(2) 0.067(3) Uani 1 2 d S
H44A H 0.9518 0.2169 0.1505 0.080 Uiso 0.50 1 d PR
H44B H 0.8708 0.3824 0.1606 0.080 Uiso 0.50 1 d PR
C45 C 0.8707(10) 0.1904(17) 0.1896(3) 0.067(5) Uani 0.50 1 d P
H45A H 0.8850 0.0596 0.1882 0.081 Uiso 0.50 1 d PR
H45B H 0.7873 0.2081 0.1967 0.081 Uiso 0.50 1 d PR
C46 C 0.9664(8) 0.2500 0.2133(2) 0.063(3) Uani 1 2 d S
H46A H 0.9537 0.3813 0.2143 0.076 Uiso 0.50 1 d PR
H46B H 1.0500 0.2291 0.2066 0.076 Uiso 0.50 1 d PR
C47 C 0.9608(10) 0.1878(17) 0.2456(3) 0.069(4) Uani 0.50 1 d P
H47A H 0.8771 0.2071 0.2525 0.082 Uiso 0.50 1 d PR
H47B H 0.9755 0.0569 0.2449 0.082 Uiso 0.50 1 d PR
C48 C 1.0574(8) 0.2500 0.2692(2) 0.066(3) Uani 1 2 d S
H48A H 1.0424 0.3808 0.2703 0.080 Uiso 0.50 1 d PR
H48B H 1.1413 0.2313 0.2625 0.080 Uiso 0.50 1 d PR
C49 C 1.0465(10) 0.1809(17) 0.2995(3) 0.071(4) Uani 0.50 1 d P
H49A H 1.0633 0.0507 0.2983 0.085 Uiso 0.50 1 d PR
H49B H 0.9613 0.1956 0.3056 0.085 Uiso 0.50 1 d PR
C50 C 1.1412(8) 0.2500 0.3247(2) 0.071(3) Uani 1 2 d S
H50A H 1.1231 0.3796 0.3265 0.085 Uiso 0.50 1 d PR
H50B H 1.2265 0.2500 0.3186 0.085 Uiso 1 2 d SR
C51 C 1.1280(12) 0.1723(19) 0.3564(3) 0.080(5) Uani 0.50 1 d P
H51A H 1.0428 0.1816 0.3627 0.096 Uiso 0.50 1 d PR
H51B H 1.1500 0.0437 0.3552 0.096 Uiso 0.50 1 d PR
C52 C 1.2211(9) 0.2500 0.3819(3) 0.084(4) Uani 1 2 d S
H52A H 1.2184 0.1939 0.4016 0.126 Uiso 0.50 1 d PR
H52B H 1.1977 0.3766 0.3831 0.126 Uiso 0.50 1 d PR
H52C H 1.3050 0.2500 0.3753 0.126 Uiso 1 2 d SR
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Cl2 Zn1 Cl1 109.69(10) . .
Cl2 Zn1 Cl3 108.35(7) . .
Cl1 Zn1 Cl3 111.06(6) . .
Cl2 Zn1 Cl3 108.35(7) . 4_565
Cl1 Zn1 Cl3 111.06(6) . 4_565
Cl3 Zn1 Cl3 108.25(11) . 4_565
Cl4 Zn2 Cl6 108.16(7) . 4_565
Cl4 Zn2 Cl6 108.16(7) . .
Cl6 Zn2 Cl6 108.29(12) 4_565 .
Cl4 Zn2 Cl5 109.51(11) . .
Cl6 Zn2 Cl5 111.31(7) 4_565 .
Cl6 Zn2 Cl5 111.31(7) . .
N1 N1 C1 75.9(4) 4_565 .
N1 N1 H1A 38.1 4_565 .
C1 N1 H1A 109.8 . .
N1 N1 H1B 106.0 4_565 .
C1 N1 H1B 109.3 . .
H1A N1 H1B 109.5 . .
N1 N1 H1C 139.4 4_565 .
C1 N1 H1C 109.4 . .
H1A N1 H1C 109.5 . .
H1B N1 H1C 109.5 . .
C14 N2 H2A 110.0 . .
C14 N2 H2B 108.7 . .
H2A N2 H2B 109.5 . .
C14 N2 H2C 109.7 . .
H2A N2 H2C 109.5 . .
H2B N2 H2C 109.5 . .
C27 N3 H3A 108.7 . .
C27 N3 H3B 110.2 . .
H3A N3 H3B 109.5 . .
C27 N3 H3C 109.5 . .
H3A N3 H3C 109.5 . .
H3B N3 H3C 109.5 . .
N4 N4 C40 71.8(5) 4_565 .
N4 N4 H4A 39.6 4_565 .
C40 N4 H4A 109.9 . .
N4 N4 H4B 134.1 4_565 .
C40 N4 H4B 109.5 . .
H4A N4 H4B 109.5 . .
N4 N4 H4C 113.2 4_565 .
C40 N4 H4C 109.0 . .
H4A N4 H4C 109.5 . .
H4B N4 H4C 109.5 . .
C2 C1 N1 131.0(8) . .
C2 C1 N1 131.0(8) . 4_565
N1 C1 N1 28.2(8) . 4_565
C2 C1 H1D 104.5 . .
N1 C1 H1D 104.7 . .
N1 C1 H1D 78.4 4_565 .
C2 C1 H1E 103.7 . .
N1 C1 H1E 105.1 . .
N1 C1 H1E 122.9 4_565 .
H1D C1 H1E 105.8 . .
C1 C2 C3 125.9(8) . .
C1 C2 C3 125.9(8) . 4_565
C3 C2 C3 34.6(10) . 4_565
C1 C2 H2D 105.4 . .
C3 C2 H2D 108.0 . .
C3 C2 H2D 127.8 4_565 .
C1 C2 H2E 106.5 . .
C3 C2 H2E 103.3 . .
C3 C2 H2E 70.5 4_565 .
H2D C2 H2E 106.6 . .
C3 C3 C2 72.7(5) 4_565 .
C3 C3 C4 73.5(5) 4_565 .
C2 C3 C4 118.3(9) . .
C3 C3 H3D 74.9 4_565 .
C2 C3 H3D 109.3 . .
C4 C3 H3D 109.5 . .
C3 C3 H3E 177.3 4_565 .
C2 C3 H3E 105.9 . .
C4 C3 H3E 105.4 . .
H3D C3 H3E 107.8 . .
C5 C4 C5 42.1(10) . 4_565
C5 C4 C3 130.3(9) . 4_565
C5 C4 C3 116.3(8) 4_565 4_565
C5 C4 C3 116.3(8) . .
C5 C4 C3 130.3(9) 4_565 .
C3 C4 C3 33.0(10) 4_565 .
C5 C4 H4D 110.5 . .
C5 C4 H4D 120.0 4_565 .
C3 C4 H4D 116.8 4_565 .
C3 C4 H4D 109.5 . .
C5 C4 H4E 106.4 . .
C5 C4 H4E 64.4 4_565 .
C3 C4 H4E 72.9 4_565 .
C3 C4 H4E 105.7 . .
H4D C4 H4E 108.0 . .
C5 C5 C4 69.0(5) 4_565 .
C5 C5 C6 70.2(5) 4_565 .
C4 C5 C6 114.2(8) . .
C5 C5 H5A 80.0 4_565 .
C4 C5 H5A 111.0 . .
C6 C5 H5A 109.9 . .
C5 C5 H5B 171.7 4_565 .
C4 C5 H5B 106.9 . .
C6 C5 H5B 106.2 . .
H5A C5 H5B 108.3 . .
C7 C6 C7 39.8(9) . 4_565
C7 C6 C5 131.5(8) . 4_565
C7 C6 C5 115.6(7) 4_565 4_565
C7 C6 C5 115.6(7) . .
C7 C6 C5 131.5(8) 4_565 .
C5 C6 C5 39.6(9) 4_565 .
C7 C6 H6A 108.2 . .
C7 C6 H6A 68.6 4_565 .
C5 C6 H6A 66.1 4_565 .
C5 C6 H6A 105.5 . .
C7 C6 H6B 110.0 . .
C7 C6 H6B 118.4 4_565 .
C5 C6 H6B 117.6 4_565 .
C5 C6 H6B 109.4 . .
H6A C6 H6B 107.9 . .
C7 C7 C8 69.4(5) 4_565 .
C7 C7 C6 70.1(5) 4_565 .
C8 C7 C6 113.3(8) . .
C7 C7 H7A 174.6 4_565 .
C8 C7 H7A 107.2 . .
C6 C7 H7A 108.3 . .
C7 C7 H7B 77.3 4_565 .
C8 C7 H7B 109.7 . .
C6 C7 H7B 110.2 . .
H7A C7 H7B 108.0 . .
C7 C8 C7 41.2(10) 4_565 .
C7 C8 C9 129.4(8) 4_565 .
C7 C8 C9 114.3(7) . .
C7 C8 C9 114.3(7) 4_565 4_565
C7 C8 C9 129.4(8) . 4_565
C9 C8 C9 36.9(9) . 4_565
C7 C8 H8A 120.1 4_565 .
C7 C8 H8A 109.2 . .
C9 C8 H8A 109.6 . .
C9 C8 H8A 119.4 4_565 .
C7 C8 H8B 65.6 4_565 .
C7 C8 H8B 106.7 . .
C9 C8 H8B 109.0 . .
C9 C8 H8B 72.2 4_565 .
H8A C8 H8B 107.7 . .
C9 C9 C8 71.5(5) 4_565 .
C9 C9 C10 71.6(5) 4_565 .
C8 C9 C10 116.8(8) . .
C9 C9 H9A 178.7 4_565 .
C8 C9 H9A 108.5 . .
C10 C9 H9A 107.4 . .
C9 C9 H9B 73.8 4_565 .
C8 C9 H9B 109.0 . .
C10 C9 H9B 107.4 . .
H9A C9 H9B 107.3 . .
C11 C10 C11 29.8(10) . 4_565
C11 C10 C9 130.7(8) . 4_565
C11 C10 C9 119.3(7) 4_565 4_565
C11 C10 C9 119.3(7) . .
C11 C10 C9 130.7(8) 4_565 .
C9 C10 C9 36.8(9) 4_565 .
C11 C10 H10A 108.1 . .
C11 C10 H10A 118.3 4_565 .
C9 C10 H10A 119.8 4_565 .
C9 C10 H10A 107.3 . .
C11 C10 H10B 107.4 . .
C11 C10 H10B 77.5 4_565 .
C9 C10 H10B 70.3 4_565 .
C9 C10 H10B 107.1 . .
H10A C10 H10B 107.2 . .
C11 C11 C12 75.0(5) 4_565 .
C11 C11 C10 75.1(5) 4_565 .
C12 C11 C10 120.5(9) . .
C11 C11 H11A 175.9 4_565 .
C12 C11 H11A 106.1 . .
C10 C11 H11A 107.3 . .
C11 C11 H11B 67.6 4_565 .
C12 C11 H11B 106.6 . .
C10 C11 H11B 107.5 . .
H11A C11 H11B 108.4 . .
C13 C12 C11 126.4(9) . 4_565
C13 C12 C11 126.4(9) . .
C11 C12 C11 30.0(11) 4_565 .
C13 C12 H12A 107.2 . .
C11 C12 H12A 124.0 4_565 .
C11 C12 H12A 105.6 . .
C13 C12 H12B 106.2 . .
C11 C12 H12B 75.6 4_565 .
C11 C12 H12B 103.7 . .
H12A C12 H12B 106.2 . .
C12 C13 H13A 107.8 . .
C12 C13 H13B 110.8 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.8 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C15 C14 C15 74.2(19) 4_575 .
C15 C14 N2 122.5(11) 4_575 .
C15 C14 N2 122.5(11) . .
C15 C14 H14A 119.2 4_575 .
C15 C14 H14A 108.4 . .
N2 C14 H14A 106.9 . .
C15 C14 H14B 29.2 4_575 .
C15 C14 H14B 103.3 . .
N2 C14 H14B 107.9 . .
H14A C14 H14B 107.1 . .
C14 C15 C15 52.9(10) . 4_575
C14 C15 C16 126.1(16) . .
C15 C15 C16 88.1(10) 4_575 .
C14 C15 C16 92.6(12) . 4_575
C15 C15 C16 47.7(7) 4_575 4_575
C16 C15 C16 40.4(12) . 4_575
C14 C15 H15A 101.6 . .
C15 C15 H15A 153.9 4_575 .
C16 C15 H15A 106.8 . .
C16 C15 H15A 142.8 4_575 .
C14 C15 H15B 105.5 . .
C15 C15 H15B 88.2 4_575 .
C16 C15 H15B 109.1 . .
C16 C15 H15B 102.8 4_575 .
H15A C15 H15B 106.2 . .
C16 C16 C15 91.9(10) 4_575 .
C16 C16 C17 64.9(7) 4_575 .
C15 C16 C17 124.7(13) . .
C16 C16 C15 47.7(7) 4_575 4_575
C15 C16 C15 44.1(13) . 4_575
C17 C16 C15 97.2(10) . 4_575
C16 C16 H16A 162.3 4_575 .
C15 C16 H16A 105.8 . .
C17 C16 H16A 103.4 . .
C15 C16 H16A 149.9 4_575 .
C16 C16 H16B 66.8 4_575 .
C15 C16 H16B 106.1 . .
C17 C16 H16B 108.4 . .
C15 C16 H16B 86.1 4_575 .
H16A C16 H16B 107.4 . .
C18 C17 C18 36.0(13) . 4_575
C18 C17 C16 130.3(11) . 4_575
C18 C17 C16 112.7(10) 4_575 4_575
C18 C17 C16 112.7(10) . .
C18 C17 C16 130.3(11) 4_575 .
C16 C17 C16 50.1(14) 4_575 .
C18 C17 H17A 110.7 . .
C18 C17 H17A 117.3 4_575 .
C16 C17 H17A 119.0 4_575 .
C16 C17 H17A 109.9 . .
C18 C17 H17B 107.0 . .
C18 C17 H17B 71.6 4_575 .
C16 C17 H17B 57.6 4_575 .
C16 C17 H17B 107.4 . .
H17A C17 H17B 109.1 . .
C18 C18 C19 71.6(6) 4_575 .
C18 C18 C17 72.0(6) 4_575 .
C19 C18 C17 118.2(11) . .
C18 C18 H18A 173.6 4_575 .
C19 C18 H18A 105.6 . .
C17 C18 H18A 105.2 . .
C18 C18 H18B 78.3 4_575 .
C19 C18 H18B 110.0 . .
C17 C18 H18B 109.2 . .
H18A C18 H18B 108.1 . .
C20 C19 C20 31.8(13) . 4_575
C20 C19 C18 135.0(11) . 4_575
C20 C19 C18 122.3(10) 4_575 4_575
C20 C19 C18 122.3(10) . .
C20 C19 C18 135.0(11) 4_575 .
C18 C19 C18 36.8(13) 4_575 .
C20 C19 H19A 108.1 . .
C20 C19 H19A 114.8 4_575 .
C18 C19 H19A 116.5 4_575 .
C18 C19 H19A 108.7 . .
C20 C19 H19B 105.1 . .
C20 C19 H19B 73.5 4_575 .
C18 C19 H19B 67.6 4_575 .
C18 C19 H19B 104.3 . .
H19A C19 H19B 107.4 . .
C20 C20 C21 73.5(7) 4_575 .
C20 C20 C19 74.1(7) 4_575 .
C21 C20 C19 123.7(12) . .
C20 C20 H20A 176.8 4_575 .
C21 C20 H20A 105.4 . .
C19 C20 H20A 104.4 . .
C20 C20 H20B 76.1 4_575 .
C21 C20 H20B 107.5 . .
C19 C20 H20B 107.7 . .
H20A C20 H20B 107.1 . .
C22 C21 C20 132.4(11) . 4_575
C22 C21 C20 132.4(11) . .
C20 C21 C20 32.9(14) 4_575 .
C22 C21 H21A 103.6 . .
C20 C21 H21A 123.4 4_575 .
C20 C21 H21A 105.6 . .
C22 C21 H21B 104.7 . .
C20 C21 H21B 71.0 4_575 .
C20 C21 H21B 102.3 . .
H21A C21 H21B 105.9 . .
C21 C22 C23 136.6(11) . .
C21 C22 H22A 103.0 . .
C23 C22 H22A 102.9 . .
C24 C23 C22 137.5(11) . .
C24 C23 H23A 102.4 . .
C22 C23 H23A 103.0 . .
C25 C24 C23 138.4(12) . .
C25 C24 H24A 102.6 . .
C23 C24 H24A 102.3 . .
C24 C25 C26 136.5(12) . .
C24 C25 H25A 103.1 . .
C26 C25 H25A 102.8 . .
C25 C26 H26A 108.4 . .
C25 C26 H26B 108.1 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 112.0 . .
H26A C26 H26C 105.6 . .
H26B C26 H26C 113.2 . .
N3 C27 C28 125.4(8) . 4_575
N3 C27 C28 125.4(8) . .
C28 C27 C28 39.8(9) 4_575 .
N3 C27 H27A 106.5 . .
C28 C27 H27A 127.9 4_575 .
C28 C27 H27A 107.4 . .
N3 C27 H27B 105.8 . .
C28 C27 H27B 66.2 4_575 .
C28 C27 H27B 104.3 . .
H27A C27 H27B 106.2 . .
C28 C28 C27 70.1(5) 4_575 .
C28 C28 C29 72.0(4) 4_575 .
C27 C28 C29 117.6(8) . .
C28 C28 H28A 78.2 4_575 .
C27 C28 H28A 109.4 . .
C29 C28 H28A 108.9 . .
C28 C28 H28B 174.4 4_575 .
C27 C28 H28B 106.4 . .
C29 C28 H28B 106.7 . .
H28A C28 H28B 107.3 . .
C30 C29 C30 36.5(8) 4_575 .
C30 C29 C28 132.4(8) 4_575 .
C30 C29 C28 118.7(7) . .
C30 C29 C28 118.7(7) 4_575 4_575
C30 C29 C28 132.4(8) . 4_575
C28 C29 C28 36.0(9) . 4_575
C30 C29 H29A 117.6 4_575 .
C30 C29 H29A 109.6 . .
C28 C29 H29A 109.1 . .
C28 C29 H29A 116.9 4_575 .
C30 C29 H29B 68.1 4_575 .
C30 C29 H29B 104.5 . .
C28 C29 H29B 106.8 . .
C28 C29 H29B 71.0 4_575 .
H29A C29 H29B 107.4 . .
C30 C30 C31 71.6(4) 4_575 .
C30 C30 C29 71.7(4) 4_575 .
C31 C30 C29 119.1(8) . .
C30 C30 H30A 171.8 4_575 .
C31 C30 H30A 104.5 . .
C29 C30 H30A 104.9 . .
C30 C30 H30B 80.6 4_575 .
C31 C30 H30B 109.9 . .
C29 C30 H30B 109.9 . .
H30A C30 H30B 107.7 . .
C30 C31 C30 36.8(9) . 4_575
C30 C31 C32 133.5(8) . 4_575
C30 C31 C32 118.8(7) 4_575 4_575
C30 C31 C32 118.8(7) . .
C30 C31 C32 133.5(8) 4_575 .
C32 C31 C32 38.2(8) 4_575 .
C30 C31 H31A 109.6 . .
C30 C31 H31A 115.7 4_575 .
C32 C31 H31A 116.5 4_575 .
C32 C31 H31A 110.1 . .
C30 C31 H31B 104.2 . .
C30 C31 H31B 67.8 4_575 .
C32 C31 H31B 68.0 4_575 .
C32 C31 H31B 105.8 . .
H31A C31 H31B 107.5 . .
C32 C32 C31 70.9(4) 4_575 .
C32 C32 C33 71.4(4) 4_575 .
C31 C32 C33 119.6(8) . .
C32 C32 H32A 171.8 4_575 .
C31 C32 H32A 105.5 . .
C33 C32 H32A 105.2 . .
C32 C32 H32B 80.8 4_575 .
C31 C32 H32B 109.9 . .
C33 C32 H32B 108.5 . .
H32A C32 H32B 107.4 . .
C34 C33 C34 41.2(8) 4_575 .
C34 C33 C32 135.5(8) 4_575 .
C34 C33 C32 119.3(7) . .
C34 C33 C32 119.3(7) 4_575 4_575
C34 C33 C32 135.5(8) . 4_575
C32 C33 C32 37.3(8) . 4_575
C34 C33 H33A 65.3 4_575 .
C34 C33 H33A 106.1 . .
C32 C33 H33A 105.5 . .
C32 C33 H33A 68.7 4_575 .
C34 C33 H33B 115.5 4_575 .
C34 C33 H33B 109.1 . .
C32 C33 H33B 108.7 . .
C32 C33 H33B 114.6 4_575 .
H33A C33 H33B 107.6 . .
C34 C34 C33 69.4(4) 4_575 .
C34 C34 C35 69.5(4) 4_575 .
C33 C34 C35 117.2(8) . .
C34 C34 H34A 82.0 4_575 .
C33 C34 H34A 109.2 . .
C35 C34 H34A 109.6 . .
C34 C34 H34B 170.3 4_575 .
C33 C34 H34B 106.3 . .
C35 C34 H34B 106.4 . .
H34A C34 H34B 107.7 . .
C34 C35 C34 41.1(8) . 4_575
C34 C35 C36 134.6(8) . 4_575
C34 C35 C36 115.8(7) 4_575 4_575
C34 C35 C36 115.8(7) . .
C34 C35 C36 134.6(8) 4_575 .
C36 C35 C36 44.7(9) 4_575 .
C34 C35 H35A 106.8 . .
C34 C35 H35A 66.4 4_575 .
C36 C35 H35A 63.0 4_575 .
C36 C35 H35A 107.2 . .
C34 C35 H35B 110.0 . .
C34 C35 H35B 116.0 4_575 .
C36 C35 H35B 115.3 4_575 .
C36 C35 H35B 108.8 . .
H35A C35 H35B 107.9 . .
C36 C36 C35 67.6(4) 4_575 .
C36 C36 C37 68.2(4) 4_575 .
C35 C36 C37 115.0(8) . .
C36 C36 H36A 82.3 4_575 .
C35 C36 H36A 108.9 . .
C37 C36 H36A 109.8 . .
C36 C36 H36B 169.7 4_575 .
C35 C36 H36B 107.2 . .
C37 C36 H36B 107.8 . .
H36A C36 H36B 108.0 . .
C38 C37 C38 46.2(9) 4_575 .
C38 C37 C36 133.5(8) 4_575 .
C38 C37 C36 113.4(7) . .
C38 C37 C36 113.4(7) 4_575 4_575
C38 C37 C36 133.5(8) . 4_575
C36 C37 C36 43.6(9) . 4_575
C38 C37 H37A 62.8 4_575 .
C38 C37 H37A 108.5 . .
C36 C37 H37A 108.2 . .
C36 C37 H37A 65.2 4_575 .
C38 C37 H37B 115.9 4_575 .
C38 C37 H37B 108.2 . .
C36 C37 H37B 110.2 . .
C36 C37 H37B 117.6 4_575 .
H37A C37 H37B 108.2 . .
C38 C38 C39 66.2(5) 4_575 .
C38 C38 C37 66.9(5) 4_575 .
C39 C38 C37 113.5(8) . .
C38 C38 H38A 82.2 4_575 .
C39 C38 H38A 109.1 . .
C37 C38 H38A 108.1 . .
C38 C38 H38B 169.6 4_575 .
C39 C38 H38B 109.1 . .
C37 C38 H38B 108.6 . .
H38A C38 H38B 108.2 . .
C38 C39 C38 47.7(10) . 4_575
C38 C39 H39A 110.7 . .
C38 C39 H39A 133.4 4_575 .
C38 C39 H39B 108.9 . .
C38 C39 H39B 116.5 4_575 .
H39A C39 H39B 109.5 . .
C38 C39 H39C 108.9 . .
C38 C39 H39C 61.9 4_575 .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
N4 C40 N4 36.5(10) 4_565 .
N4 C40 C41 129.8(8) 4_565 .
N4 C40 C41 129.8(8) . .
N4 C40 H40A 125.4 4_565 .
N4 C40 H40A 105.1 . .
C41 C40 H40A 104.4 . .
N4 C40 H40B 70.1 4_565 .
N4 C40 H40B 104.7 . .
C41 C40 H40B 105.0 . .
H40A C40 H40B 105.9 . .
C40 C41 C42 128.6(8) . .
C40 C41 H41A 104.6 . .
C42 C41 H41A 105.7 . .
C40 C41 H41B 104.6 . .
C42 C41 H41B 105.7 . .
H41A C41 H41B 105.9 . .
C41 C42 C43 130.7(8) . 4_565
C41 C42 C43 130.7(8) . .
C43 C42 C43 31.1(11) 4_565 .
C41 C42 H42A 105.2 . .
C43 C42 H42A 123.2 4_565 .
C43 C42 H42A 106.1 . .
C41 C42 H42B 104.5 . .
C43 C42 H42B 72.9 4_565 .
C43 C42 H42B 102.5 . .
H42A C42 H42B 105.6 . .
C43 C43 C42 74.4(6) 4_565 .
C43 C43 C44 74.5(6) 4_565 .
C42 C43 C44 122.9(9) . .
C43 C43 H43A 179.7 4_565 .
C42 C43 H43A 105.4 . .
C44 C43 H43A 105.4 . .
C43 C43 H43B 73.3 4_565 .
C42 C43 H43B 107.7 . .
C44 C43 H43B 107.5 . .
H43A C43 H43B 107.0 . .
C45 C44 C45 35.8(10) 4_565 .
C45 C44 C43 129.2(9) 4_565 .
C45 C44 C43 117.9(8) . .
C45 C44 C43 117.9(8) 4_565 4_565
C45 C44 C43 129.2(9) . 4_565
C43 C44 C43 30.9(11) . 4_565
C45 C44 H44A 121.1 4_565 .
C45 C44 H44A 111.3 . .
C43 C44 H44A 108.9 . .
C43 C44 H44A 117.2 4_565 .
C45 C44 H44B 67.7 4_565 .
C45 C44 H44B 103.4 . .
C43 C44 H44B 107.0 . .
C43 C44 H44B 76.2 4_565 .
H44A C44 H44B 107.7 . .
C45 C45 C44 72.1(5) 4_565 .
C45 C45 C46 72.8(5) 4_565 .
C44 C45 C46 121.6(9) . .
C45 C45 H45A 170.0 4_565 .
C44 C45 H45A 103.3 . .
C46 C45 H45A 103.4 . .
C45 C45 H45B 82.3 4_565 .
C44 C45 H45B 110.4 . .
C46 C45 H45B 109.3 . .
H45A C45 H45B 107.6 . .
C45 C46 C45 34.5(10) . 4_565
C45 C46 C47 133.6(9) . 4_565
C45 C46 C47 120.7(8) 4_565 4_565
C45 C46 C47 120.7(8) . .
C45 C46 C47 133.6(9) 4_565 .
C47 C46 C47 35.3(10) 4_565 .
C45 C46 H46A 103.5 . .
C45 C46 H46A 69.3 4_565 .
C47 C46 H46A 69.0 4_565 .
C47 C46 H46A 104.0 . .
C45 C46 H46B 109.6 . .
C45 C46 H46B 115.4 4_565 .
C47 C46 H46B 116.3 4_565 .
C47 C46 H46B 110.3 . .
H46A C46 H46B 107.7 . .
C47 C47 C48 72.1(5) 4_565 .
C47 C47 C46 72.3(5) 4_565 .
C48 C47 C46 119.9(9) . .
C47 C47 H47A 81.6 4_565 .
C48 C47 H47A 110.1 . .
C46 C47 H47A 110.7 . .
C47 C47 H47B 170.4 4_565 .
C48 C47 H47B 102.8 . .
C46 C47 H47B 104.4 . .
H47A C47 H47B 107.9 . .
C49 C48 C49 41.1(10) 4_565 .
C49 C48 C47 131.3(9) 4_565 .
C49 C48 C47 116.4(8) . .
C49 C48 C47 116.4(8) 4_565 4_565
C49 C48 C47 131.3(9) . 4_565
C47 C48 C47 35.8(10) . 4_565
C49 C48 H48A 65.5 4_565 .
C49 C48 H48A 106.0 . .
C47 C48 H48A 103.2 . .
C47 C48 H48A 67.9 4_565 .
C49 C48 H48B 118.1 4_565 .
C49 C48 H48B 111.9 . .
C47 C48 H48B 110.4 . .
C47 C48 H48B 115.8 4_565 .
H48A C48 H48B 108.1 . .
C49 C49 C48 69.4(5) 4_565 .
C49 C49 C50 70.7(5) 4_565 .
C48 C49 C50 117.5(9) . .
C49 C49 H49A 168.6 4_565 .
C48 C49 H49A 105.3 . .
C50 C49 H49A 104.5 . .
C49 C49 H49B 83.6 4_565 .
C48 C49 H49B 111.0 . .
C50 C49 H49B 110.0 . .
H49A C49 H49B 107.7 . .
C51 C50 C51 43.9(11) 4_565 .
C51 C50 C49 133.4(9) 4_565 .
C51 C50 C49 116.1(8) . .
C51 C50 C49 116.1(8) 4_565 4_565
C51 C50 C49 133.4(9) . 4_565
C49 C50 C49 38.6(10) . 4_565
C51 C50 H50A 62.0 4_565 .
C51 C50 H50A 105.0 . .
C49 C50 H50A 104.9 . .
C49 C50 H50A 67.1 4_565 .
C51 C50 H50B 114.2 4_565 .
C51 C50 H50B 114.2 . .
C49 C50 H50B 112.2 . .
C49 C50 H50B 112.2 4_565 .
H50A C50 H50B 102.6 . .
C51 C51 C50 68.1(5) 4_565 .
C51 C51 C52 68.5(5) 4_565 .
C50 C51 C52 115.4(10) . .
C51 C51 H51A 86.0 4_565 .
C50 C51 H51A 112.9 . .
C52 C51 H51A 109.1 . .
C51 C51 H51B 165.5 4_565 .
C50 C51 H51B 105.9 . .
C52 C51 H51B 104.5 . .
H51A C51 H51B 108.4 . .
C51 C52 C51 43.1(11) . 4_565
C51 C52 H52A 115.9 . .
C51 C52 H52A 138.5 4_565 .
C51 C52 H52B 103.9 . .
C51 C52 H52B 62.2 4_565 .
H52A C52 H52B 109.5 . .
C51 C52 H52C 110.0 . .
C51 C52 H52C 110.0 4_565 .
H52A C52 H52C 111.3 . .
H52B C52 H52C 105.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 Cl2 2.235(3) .
Zn1 Cl1 2.246(2) .
Zn1 Cl3 2.248(2) .
Zn1 Cl3 2.248(2) 4_565
Zn2 Cl4 2.225(3) .
Zn2 Cl6 2.241(2) 4_565
Zn2 Cl6 2.241(2) .
Zn2 Cl5 2.245(2) .
N1 N1 0.68(2) 4_565
N1 C1 1.388(11) .
N1 H1A 0.8900 .
N1 H1B 0.8900 .
N1 H1C 0.8900 .
N2 C14 1.390(13) .
N2 H2A 0.8900 .
N2 H2B 0.8900 .
N2 H2C 0.8900 .
N3 C27 1.329(10) .
N3 H3A 0.8900 .
N3 H3B 0.8900 .
N3 H3C 0.8900 .
N4 N4 0.84(2) 4_565
N4 C40 1.347(12) .
N4 H4A 0.8900 .
N4 H4B 0.8900 .
N4 H4C 0.8900 .
C1 C2 1.374(12) .
C1 N1 1.388(11) 4_565
C1 H1D 0.9700 .
C1 H1E 0.9700 .
C2 C3 1.426(13) .
C2 C3 1.426(13) 4_565
C2 H2D 0.9700 .
C2 H2E 0.9700 .
C3 C3 0.85(3) 4_565
C3 C4 1.491(13) .
C3 H3D 0.9700 .
C3 H3E 0.9700 .
C4 C5 1.486(13) .
C4 C5 1.486(13) 4_565
C4 C3 1.491(13) 4_565
C4 H4D 0.9700 .
C4 H4E 0.9700 .
C5 C5 1.07(3) 4_565
C5 C6 1.576(13) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 C7 1.529(13) .
C6 C7 1.529(13) 4_565
C6 C5 1.576(13) 4_565
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C7 1.04(2) 4_565
C7 C8 1.482(13) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C7 1.482(13) 4_565
C8 C9 1.497(12) .
C8 C9 1.497(12) 4_565
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C9 0.95(2) 4_565
C9 C10 1.504(13) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.448(12) .
C10 C11 1.448(12) 4_565
C10 C9 1.504(13) 4_565
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C11 0.75(3) 4_565
C11 C12 1.439(13) .
C11 H11A 0.9700 .
C11 H11B 0.9782 .
C12 C13 1.418(13) .
C12 C11 1.439(13) 4_565
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 C15 1.153(19) 4_575
C14 C15 1.153(19) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C15 1.39(4) 4_575
C15 C16 1.48(2) .
C15 C16 2.00(2) 4_575
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C16 1.29(4) 4_575
C16 C17 1.527(17) .
C16 C15 2.00(2) 4_575
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.505(16) .
C17 C18 1.505(16) 4_575
C17 C16 1.527(17) 4_575
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C18 0.93(3) 4_575
C18 C19 1.474(16) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.458(15) .
C19 C20 1.458(15) 4_575
C19 C18 1.474(16) 4_575
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C20 0.80(3) 4_575
C20 C21 1.409(16) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.370(15) .
C21 C20 1.409(16) 4_575
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.397(15) .
C22 H22A 0.9701 .
C23 C24 1.378(15) .
C23 H23A 0.9700 .
C24 C25 1.359(15) .
C24 H24A 0.9700 .
C25 C26 1.396(15) .
C25 H25A 0.9700 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9572 .
C27 C28 1.382(12) 4_575
C27 C28 1.382(12) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C28 0.94(2) 4_575
C28 C29 1.521(12) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.468(12) 4_575
C29 C30 1.468(12) .
C29 C28 1.521(12) 4_575
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C30 0.92(2) 4_575
C30 C31 1.458(12) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C30 1.458(12) 4_575
C31 C32 1.465(12) 4_575
C31 C32 1.465(12) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C32 0.96(2) 4_575
C32 C33 1.499(12) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C34 1.467(12) 4_575
C33 C34 1.467(12) .
C33 C32 1.499(12) 4_575
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C34 1.03(2) 4_575
C34 C35 1.470(12) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C34 1.470(12) 4_575
C35 C36 1.506(12) 4_575
C35 C36 1.506(12) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 C36 1.15(2) 4_575
C36 C37 1.543(13) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 C38 1.506(13) 4_575
C37 C38 1.506(13) .
C37 C36 1.543(13) 4_575
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 C38 1.18(2) 4_575
C38 C39 1.461(13) .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C39 C38 1.461(13) 4_575
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 N4 1.347(12) 4_565
C40 C41 1.392(12) .
C40 H40A 0.9700 .
C40 H40B 0.9700 .
C41 C42 1.396(13) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 C43 1.468(14) 4_565
C42 C43 1.468(14) .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C43 C43 0.79(3) 4_565
C43 C44 1.479(13) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 C45 1.418(14) 4_565
C44 C45 1.418(14) .
C44 C43 1.479(13) 4_565
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C45 C45 0.87(3) 4_565
C45 C46 1.470(13) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 C45 1.470(13) 4_565
C46 C47 1.496(14) 4_565
C46 C47 1.496(14) .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C47 C47 0.91(2) 4_565
C47 C48 1.476(14) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C48 C49 1.438(15) 4_565
C48 C49 1.438(15) .
C48 C47 1.476(14) 4_565
C48 H48A 0.9700 .
C48 H48B 0.9700 .
C49 C49 1.01(3) 4_565
C49 C50 1.526(14) .
C49 H49A 0.9700 .
C49 H49B 0.9700 .
C50 C51 1.519(16) 4_565
C50 C51 1.519(16) .
C50 C49 1.526(14) 4_565
C50 H50A 0.9700 .
C50 H50B 0.9659 .
C51 C51 1.14(3) 4_565
C51 C52 1.547(16) .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
C52 C51 1.547(16) 4_565
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9578 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2A Cl6 0.89 2.58 3.389(7) 152.3 4_575
N1 H1A Cl6 0.89 2.79 3.584(9) 149.7 4_665
N1 H1C Cl6 0.89 2.48 3.223(8) 141.4 1_655
N2 H2B Cl5 0.89 2.91 3.384(8) 114.6 3_666
N2 H2B Cl4 0.89 2.55 3.393(8) 157.6 3_666
N1 H1B Cl6 0.89 2.35 3.150(9) 149.0 3_666
N2 H2C Cl5 0.89 2.96 3.7170(15) 143.4 .
N2 H2C Cl6 0.89 2.73 3.389(7) 131.6 .
N3 H3A Cl3 0.89 2.54 3.374(6) 155.4 4_565
N3 H3B Cl2 0.89 2.57 3.288(7) 138.6 3_665
N3 H3C Cl1 0.89 2.84 3.7069(12) 164.1 1_565
N4 H4A Cl3 0.89 2.88 3.602(10) 138.9 2_655
N4 H4B Cl3 0.89 2.37 3.145(9) 146.3 3_655
N4 H4C Cl3 0.89 2.38 3.122(9) 141.5 1_655
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 N1 C1 C2 -102.6(5) 4_565 .
N1 C1 C2 C3 177.3(8) . .
N1 C1 C2 C3 139.6(10) 4_565 .
N1 C1 C2 C3 -139.6(10) . 4_565
N1 C1 C2 C3 -177.3(9) 4_565 4_565
C1 C2 C3 C3 103.0(6) . 4_565
C1 C2 C3 C4 162.6(6) . .
C3 C2 C3 C4 59.6(9) 4_565 .
C3 C3 C4 C5 -124.3(7) 4_565 .
C2 C3 C4 C5 176.4(8) . .
C3 C3 C4 C5 -76.2(8) 4_565 4_565
C2 C3 C4 C5 -135.4(9) . 4_565
C2 C3 C4 C3 -59.2(9) . 4_565
C3 C4 C5 C5 85.8(8) 4_565 4_565
C3 C4 C5 C5 122.0(8) . 4_565
C5 C4 C5 C6 55.2(9) 4_565 .
C3 C4 C5 C6 141.0(8) 4_565 .
C3 C4 C5 C6 177.2(8) . .
C5 C5 C6 C7 -125.0(7) 4_565 .
C4 C5 C6 C7 -179.5(8) . .
C5 C5 C6 C7 -80.5(8) 4_565 4_565
C4 C5 C6 C7 -135.1(8) . 4_565
C4 C5 C6 C5 -54.6(9) . 4_565
C5 C6 C7 C7 80.8(8) 4_565 4_565
C5 C6 C7 C7 124.9(7) . 4_565
C7 C6 C7 C8 55.7(8) 4_565 .
C5 C6 C7 C8 136.5(8) 4_565 .
C5 C6 C7 C8 -179.4(7) . .
C6 C7 C8 C7 -56.1(8) . 4_565
C7 C7 C8 C9 -122.7(7) 4_565 .
C6 C7 C8 C9 -178.8(7) . .
C7 C7 C8 C9 -82.6(7) 4_565 4_565
C6 C7 C8 C9 -138.6(8) . 4_565
C7 C8 C9 C9 78.2(7) 4_565 4_565
C7 C8 C9 C9 123.9(7) . 4_565
C7 C8 C9 C10 135.4(8) 4_565 .
C7 C8 C9 C10 -178.9(8) . .
C9 C8 C9 C10 57.2(8) 4_565 .
C9 C9 C10 C11 -119.8(8) 4_565 .
C8 C9 C10 C11 -177.0(8) . .
C9 C9 C10 C11 -85.9(8) 4_565 4_565
C8 C9 C10 C11 -143.0(9) . 4_565
C8 C9 C10 C9 -57.2(8) . 4_565
C9 C10 C11 C11 78.4(8) 4_565 4_565
C9 C10 C11 C11 121.6(7) . 4_565
C11 C10 C11 C12 62.1(10) 4_565 .
C9 C10 C11 C12 140.5(9) 4_565 .
C9 C10 C11 C12 -176.3(8) . .
C11 C11 C12 C13 -101.4(5) 4_565 .
C10 C11 C12 C13 -163.5(6) . .
C10 C11 C12 C11 -62.1(10) . 4_565
N2 C14 C15 C15 -118.8(15) . 4_575
C15 C14 C15 C16 -53(2) 4_575 .
N2 C14 C15 C16 -171.9(13) . .
C15 C14 C15 C16 -28.6(12) 4_575 4_575
N2 C14 C15 C16 -147.4(9) . 4_575
C14 C15 C16 C16 39.6(18) . 4_575
C15 C15 C16 C16 0.000(14) 4_575 4_575
C14 C15 C16 C17 -21(3) . .
C15 C15 C16 C17 -60.5(14) 4_575 .
C16 C15 C16 C17 -60.5(14) 4_575 .
C14 C15 C16 C15 39.6(18) . 4_575
C16 C15 C16 C15 0.000(19) 4_575 4_575
C16 C16 C17 C18 124.4(10) 4_575 .
C15 C16 C17 C18 -161.8(15) . .
C15 C16 C17 C18 160.5(9) 4_575 .
C16 C16 C17 C18 87.1(11) 4_575 4_575
C15 C16 C17 C18 160.9(14) . 4_575
C15 C16 C17 C18 123.2(11) 4_575 4_575
C15 C16 C17 C16 73.8(17) . 4_575
C15 C16 C17 C16 36.1(9) 4_575 4_575
C16 C17 C18 C18 -72.0(10) 4_575 4_575
C16 C17 C18 C18 -128.2(10) . 4_575
C18 C17 C18 C19 -56.6(12) 4_575 .
C16 C17 C18 C19 -128.6(13) 4_575 .
C16 C17 C18 C19 175.2(11) . .
C18 C18 C19 C20 123.5(11) 4_575 .
C17 C18 C19 C20 -179.7(11) . .
C18 C18 C19 C20 85.7(12) 4_575 4_575
C17 C18 C19 C20 142.4(12) . 4_575
C17 C18 C19 C18 56.8(12) . 4_575
C18 C19 C20 C20 -79.7(11) 4_575 4_575
C18 C19 C20 C20 -124.6(10) . 4_575
C20 C19 C20 C21 -57.0(13) 4_575 .
C18 C19 C20 C21 -136.7(13) 4_575 .
C18 C19 C20 C21 178.3(12) . .
C20 C20 C21 C22 105.7(9) 4_575 .
C19 C20 C21 C22 162.9(8) . .
C19 C20 C21 C20 57.3(13) . 4_575
C20 C21 C22 C23 -157.4(10) 4_575 .
C20 C21 C22 C23 157.4(10) . .
C21 C22 C23 C24 180.000(3) . .
C22 C23 C24 C25 180.000(3) . .
C23 C24 C25 C26 180.000(2) . .
N3 C27 C28 C28 104.9(6) . 4_575
N3 C27 C28 C29 160.8(5) . .
C28 C27 C28 C29 55.9(9) 4_575 .
C28 C28 C29 C30 -81.4(7) 4_575 4_575
C27 C28 C29 C30 -136.4(8) . 4_575
C28 C28 C29 C30 -123.6(7) 4_575 .
C27 C28 C29 C30 -178.6(8) . .
C27 C28 C29 C28 -55.0(9) . 4_575
C28 C29 C30 C30 123.5(7) . 4_575
C28 C29 C30 C30 82.0(7) 4_575 4_575
C30 C29 C30 C31 55.7(9) 4_575 .
C28 C29 C30 C31 179.2(7) . .
C28 C29 C30 C31 137.7(8) 4_575 .
C29 C30 C31 C30 -55.8(9) . 4_575
C30 C30 C31 C32 -80.8(7) 4_575 4_575
C29 C30 C31 C32 -136.6(8) . 4_575
C30 C30 C31 C32 -125.2(7) 4_575 .
C29 C30 C31 C32 179.1(7) . .
C30 C31 C32 C32 124.8(7) . 4_575
C30 C31 C32 C32 82.4(7) 4_575 4_575
C30 C31 C32 C33 179.0(7) . .
C30 C31 C32 C33 136.6(8) 4_575 .
C32 C31 C32 C33 54.2(8) 4_575 .
C32 C32 C33 C34 -79.3(7) 4_575 4_575
C31 C32 C33 C34 -133.2(8) . 4_575
C32 C32 C33 C34 -127.9(7) 4_575 .
C31 C32 C33 C34 178.2(7) . .
C31 C32 C33 C32 -53.9(8) . 4_575
C32 C33 C34 C34 127.0(7) . 4_575
C32 C33 C34 C34 84.0(7) 4_575 4_575
C34 C33 C34 C35 52.1(8) 4_575 .
C32 C33 C34 C35 179.1(7) . .
C32 C33 C34 C35 136.1(8) 4_575 .
C33 C34 C35 C34 -52.1(8) . 4_575
C34 C34 C35 C36 -78.4(7) 4_575 4_575
C33 C34 C35 C36 -130.5(9) . 4_575
C34 C34 C35 C36 -129.2(7) 4_575 .
C33 C34 C35 C36 178.7(7) . .
C34 C35 C36 C36 128.3(7) . 4_575
C34 C35 C36 C36 82.7(7) 4_575 4_575
C34 C35 C36 C37 178.9(7) . .
C34 C35 C36 C37 133.3(8) 4_575 .
C36 C35 C36 C37 50.7(8) 4_575 .
C36 C36 C37 C38 -78.3(8) 4_575 4_575
C35 C36 C37 C38 -128.7(9) . 4_575
C36 C36 C37 C38 -129.3(7) 4_575 .
C35 C36 C37 C38 -179.7(8) . .
C35 C36 C37 C36 -50.4(8) . 4_575
C36 C37 C38 C38 128.6(7) . 4_575
C36 C37 C38 C38 81.3(8) 4_575 4_575
C38 C37 C38 C39 48.4(9) 4_575 .
C36 C37 C38 C39 177.0(8) . .
C36 C37 C38 C39 129.7(9) 4_575 .
C37 C38 C39 C38 -48.8(9) . 4_575
N4 N4 C40 C41 -105.9(6) 4_565 .
N4 C40 C41 C42 156.0(7) 4_565 .
N4 C40 C41 C42 -156.0(7) . .
C40 C41 C42 C43 -159.3(8) . 4_565
C40 C41 C42 C43 159.3(8) . .
C41 C42 C43 C43 103.8(6) . 4_565
C41 C42 C43 C44 44.5(14) . .
C43 C42 C43 C44 -59.3(11) 4_565 .
C43 C43 C44 C45 79.3(8) 4_565 4_565
C42 C43 C44 C45 138.6(10) . 4_565
C43 C43 C44 C45 120.4(8) 4_565 .
C42 C43 C44 C45 179.7(9) . .
C42 C43 C44 C43 59.3(11) . 4_565
C43 C44 C45 C45 -119.2(8) . 4_565
C43 C44 C45 C45 -84.4(9) 4_565 4_565
C45 C44 C45 C46 -55.7(10) 4_565 .
C43 C44 C45 C46 -174.8(9) . .
C43 C44 C45 C46 -140.0(10) 4_565 .
C44 C45 C46 C45 55.4(10) . 4_565
C45 C45 C46 C47 81.8(8) 4_565 4_565
C44 C45 C46 C47 137.1(10) . 4_565
C45 C45 C46 C47 123.6(8) 4_565 .
C44 C45 C46 C47 179.0(9) . .
C45 C46 C47 C47 -123.4(8) . 4_565
C45 C46 C47 C47 -82.8(8) 4_565 4_565
C45 C46 C47 C48 -179.6(8) . .
C45 C46 C47 C48 -139.0(9) 4_565 .
C47 C46 C47 C48 -56.2(9) 4_565 .
C47 C47 C48 C49 78.0(8) 4_565 4_565
C46 C47 C48 C49 134.4(10) . 4_565
C47 C47 C48 C49 124.9(8) 4_565 .
C46 C47 C48 C49 -178.8(9) . .
C46 C47 C48 C47 56.4(9) . 4_565
C47 C48 C49 C49 -123.5(8) . 4_565
C47 C48 C49 C49 -83.8(8) 4_565 4_565
C49 C48 C49 C50 -53.6(10) 4_565 .
C47 C48 C49 C50 -177.1(8) . .
C47 C48 C49 C50 -137.4(9) 4_565 .
C49 C49 C50 C51 77.7(9) 4_565 4_565
C48 C49 C50 C51 130.6(11) . 4_565
C49 C49 C50 C51 127.8(8) 4_565 .
C48 C49 C50 C51 -179.2(9) . .
C48 C49 C50 C49 53.0(10) . 4_565
C49 C50 C51 C51 -126.5(8) . 4_565
C49 C50 C51 C51 -83.7(9) 4_565 4_565
C51 C50 C51 C52 -51.0(10) 4_565 .
C49 C50 C51 C52 -177.5(8) . .
C49 C50 C51 C52 -134.7(10) 4_565 .
C50 C51 C52 C51 50.8(10) . 4_565
