#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:50:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179515 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/12/4341244.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_4341244
loop_
_publ_author_name
'Liao, Wei-Qiang'
'Ye, Heng-Yun'
'Fu, Da-Wei'
'Li, Peng-Fei'
'Chen, Li-Zhuang'
'Zhang, Yi'
_publ_section_title
;
 Temperature-Triggered Reversible Dielectric and Nonlinear Optical Switch
 Based on the One-Dimensional Organic-Inorganic Hybrid Phase Transition
 Compound [C6H11NH3]2CdCl4.
;
_journal_issue                   20
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11146
_journal_page_last               11151
_journal_paper_doi               10.1021/ic501749c
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'Cd Cl4, 2(C6 H14 N)'
_chemical_formula_sum            'C12 H28 Cd Cl4 N2'
_chemical_formula_weight         454.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 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                 105.453(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   17.874(6)
_cell_length_b                   27.273(8)
_cell_length_c                   11.528(5)
_cell_measurement_reflns_used    12903
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.08
_cell_volume                     5416(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2005)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku SCXmini diffractometer'
_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  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0476
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            19896
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    1.792
_exptl_absorpt_correction_T_max  0.605
_exptl_absorpt_correction_T_min  0.530
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku, 2005)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2760
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.485
_refine_diff_density_min         -1.044
_refine_diff_density_rms         0.132
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.05(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     547
_refine_ls_number_reflns         12675
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0475P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1047
_refine_ls_wR_factor_ref         0.1118
_reflns_number_gt                7632
_reflns_number_total             12675
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501749c_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 4341244--4341246.cif.
;
_cod_original_sg_symbol_H-M      'C m'
_cod_database_code               4341244
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z'
'x+1/2, y+1/2, z'
'x+1/2, -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
C1 C 0.3044(5) 0.1232(3) 0.1968(7) 0.035(2) Uani 1 1 d .
H1 H 0.3595 0.1222 0.2406 0.042 Uiso 1 1 calc R
C2 C 0.2920(5) 0.1690(3) 0.1151(6) 0.0368(18) Uani 1 1 d .
H2A H 0.3267 0.1676 0.0633 0.044 Uiso 1 1 calc R
H2B H 0.2391 0.1693 0.0644 0.044 Uiso 1 1 calc R
C3 C 0.3071(6) 0.2149(3) 0.1888(10) 0.054(3) Uani 1 1 d .
H3A H 0.3618 0.2165 0.2311 0.065 Uiso 1 1 calc R
H3B H 0.2949 0.2431 0.1359 0.065 Uiso 1 1 calc R
C4 C 0.2609(5) 0.2169(3) 0.2764(7) 0.045(2) Uani 1 1 d .
H4A H 0.2063 0.2190 0.2339 0.054 Uiso 1 1 calc R
H4B H 0.2746 0.2462 0.3253 0.054 Uiso 1 1 calc R
C5 C 0.2747(5) 0.1710(3) 0.3591(7) 0.0411(19) Uani 1 1 d .
H5A H 0.3275 0.1714 0.4102 0.049 Uiso 1 1 calc R
H5B H 0.2397 0.1719 0.4106 0.049 Uiso 1 1 calc R
C6 C 0.2610(5) 0.1235(3) 0.2840(6) 0.046(2) Uani 1 1 d .
H6A H 0.2759 0.0955 0.3370 0.055 Uiso 1 1 calc R
H6B H 0.2061 0.1205 0.2435 0.055 Uiso 1 1 calc R
C7 C 0.3086(5) 0.1234(3) 0.7033(8) 0.039(2) Uani 1 1 d .
H7 H 0.2946 0.1223 0.6152 0.047 Uiso 1 1 calc R
C8 C 0.3617(4) 0.1681(3) 0.7481(7) 0.0349(18) Uani 1 1 d .
H8A H 0.4065 0.1668 0.7157 0.042 Uiso 1 1 calc R
H8B H 0.3799 0.1675 0.8352 0.042 Uiso 1 1 calc R
C9 C 0.3146(5) 0.2162(3) 0.7057(7) 0.037(2) Uani 1 1 d .
H9A H 0.3466 0.2445 0.7370 0.044 Uiso 1 1 calc R
H9B H 0.3004 0.2180 0.6185 0.044 Uiso 1 1 calc R
C10 C 0.2443(5) 0.2171(3) 0.7484(8) 0.048(2) Uani 1 1 d .
H10A H 0.2154 0.2469 0.7208 0.057 Uiso 1 1 calc R
H10B H 0.2589 0.2173 0.8357 0.057 Uiso 1 1 calc R
C11 C 0.1925(4) 0.1728(3) 0.7032(7) 0.039(2) Uani 1 1 d .
H11A H 0.1746 0.1737 0.6161 0.047 Uiso 1 1 calc R
H11B H 0.1475 0.1737 0.7351 0.047 Uiso 1 1 calc R
C12 C 0.2390(4) 0.1252(3) 0.7441(8) 0.045(2) Uani 1 1 d .
H12A H 0.2529 0.1232 0.8312 0.053 Uiso 1 1 calc R
H12B H 0.2067 0.0971 0.7124 0.053 Uiso 1 1 calc R
C13 C 0.5932(4) 0.1239(2) 0.8502(6) 0.0227(14) Uani 1 1 d .
H13 H 0.5395 0.1220 0.8558 0.027 Uiso 1 1 calc R
C14 C 0.6027(5) 0.1709(2) 0.7811(6) 0.0255(15) Uani 1 1 d .
H14A H 0.6543 0.1719 0.7690 0.031 Uiso 1 1 calc R
H14B H 0.5653 0.1709 0.7027 0.031 Uiso 1 1 calc R
C15 C 0.5900(4) 0.2154(2) 0.8522(7) 0.0337(17) Uani 1 1 d .
H15A H 0.5985 0.2450 0.8106 0.040 Uiso 1 1 calc R
H15B H 0.5367 0.2158 0.8575 0.040 Uiso 1 1 calc R
C16 C 0.6435(4) 0.2150(3) 0.9755(7) 0.0345(17) Uani 1 1 d .
H16A H 0.6332 0.2433 1.0196 0.041 Uiso 1 1 calc R
H16B H 0.6967 0.2173 0.9701 0.041 Uiso 1 1 calc R
C17 C 0.6341(5) 0.1681(2) 1.0440(6) 0.0309(16) Uani 1 1 d .
H17A H 0.6720 0.1678 1.1218 0.037 Uiso 1 1 calc R
H17B H 0.5827 0.1674 1.0573 0.037 Uiso 1 1 calc R
C18 C 0.6452(4) 0.1230(2) 0.9716(6) 0.0277(15) Uani 1 1 d .
H18A H 0.6986 0.1217 0.9669 0.033 Uiso 1 1 calc R
H18B H 0.6354 0.0936 1.0127 0.033 Uiso 1 1 calc R
C19 C 0.1413(4) 0.3783(2) 0.4408(6) 0.0243(15) Uani 1 1 d .
H19 H 0.1196 0.3805 0.5102 0.029 Uiso 1 1 calc R
C20 C 0.0761(4) 0.3752(2) 0.3322(6) 0.0267(15) Uani 1 1 d .
H20A H 0.0959 0.3758 0.2617 0.032 Uiso 1 1 calc R
H20B H 0.0427 0.4035 0.3287 0.032 Uiso 1 1 calc R
C21 C 0.0282(4) 0.3279(3) 0.3306(6) 0.0299(16) Uani 1 1 d .
H21A H 0.0014 0.3295 0.3934 0.036 Uiso 1 1 calc R
H21B H -0.0105 0.3251 0.2538 0.036 Uiso 1 1 calc R
C22 C 0.0811(5) 0.2826(3) 0.3504(7) 0.0365(18) Uani 1 1 d .
H22A H 0.0504 0.2537 0.3548 0.044 Uiso 1 1 calc R
H22B H 0.1025 0.2788 0.2820 0.044 Uiso 1 1 calc R
C23 C 0.1444(5) 0.2860(3) 0.4598(7) 0.0399(19) Uani 1 1 d .
H23A H 0.1772 0.2573 0.4665 0.048 Uiso 1 1 calc R
H23B H 0.1234 0.2867 0.5291 0.048 Uiso 1 1 calc R
C24 C 0.1941(4) 0.3333(2) 0.4587(7) 0.0282(16) Uani 1 1 d .
H24A H 0.2339 0.3361 0.5343 0.034 Uiso 1 1 calc R
H24B H 0.2193 0.3313 0.3941 0.034 Uiso 1 1 calc R
C25 C 0.4259(4) 0.3774(2) 0.5115(6) 0.0236(15) Uani 1 1 d .
H25 H 0.3722 0.3788 0.5170 0.028 Uiso 1 1 calc R
C26 C 0.4343(4) 0.3331(2) 0.4334(6) 0.0259(15) Uani 1 1 d .
H26A H 0.3967 0.3357 0.3556 0.031 Uiso 1 1 calc R
H26B H 0.4857 0.3332 0.4205 0.031 Uiso 1 1 calc R
C27 C 0.4219(4) 0.2863(3) 0.4924(7) 0.0375(18) Uani 1 1 d .
H27A H 0.4309 0.2589 0.4441 0.045 Uiso 1 1 calc R
H27B H 0.3685 0.2846 0.4967 0.045 Uiso 1 1 calc R
C28 C 0.4752(5) 0.2822(3) 0.6167(7) 0.041(2) Uani 1 1 d .
H28A H 0.5284 0.2804 0.6115 0.049 Uiso 1 1 calc R
H28B H 0.4639 0.2521 0.6537 0.049 Uiso 1 1 calc R
C29 C 0.4667(5) 0.3265(3) 0.6972(6) 0.0354(17) Uani 1 1 d .
H29A H 0.4156 0.3261 0.7112 0.042 Uiso 1 1 calc R
H29B H 0.5050 0.3240 0.7745 0.042 Uiso 1 1 calc R
C30 C 0.4784(4) 0.3747(2) 0.6352(6) 0.0290(16) Uani 1 1 d .
H30A H 0.4681 0.4021 0.6822 0.035 Uiso 1 1 calc R
H30B H 0.5318 0.3769 0.6316 0.035 Uiso 1 1 calc R
C31 C 0.4734(4) 0.3759(2) 0.1076(7) 0.0283(16) Uani 1 1 d .
H31 H 0.4507 0.3757 0.1762 0.034 Uiso 1 1 calc R
C32 C 0.4095(4) 0.3771(2) -0.0032(7) 0.0323(17) Uani 1 1 d .
H32A H 0.4305 0.3798 -0.0724 0.039 Uiso 1 1 calc R
H32B H 0.3771 0.4056 -0.0023 0.039 Uiso 1 1 calc R
C33 C 0.3604(4) 0.3300(3) -0.0135(7) 0.0394(19) Uani 1 1 d .
H33A H 0.3201 0.3303 -0.0889 0.047 Uiso 1 1 calc R
H33B H 0.3356 0.3289 0.0517 0.047 Uiso 1 1 calc R
C34 C 0.4123(5) 0.2840(3) -0.0082(8) 0.044(2) Uani 1 1 d .
H34A H 0.3810 0.2547 -0.0116 0.053 Uiso 1 1 calc R
H34B H 0.4336 0.2837 -0.0773 0.053 Uiso 1 1 calc R
C35 C 0.4753(5) 0.2835(3) 0.1016(8) 0.043(2) Uani 1 1 d .
H35A H 0.5082 0.2553 0.1005 0.051 Uiso 1 1 calc R
H35B H 0.4538 0.2801 0.1701 0.051 Uiso 1 1 calc R
C36 C 0.5256(4) 0.3309(2) 0.1175(7) 0.0241(15) Uani 1 1 d .
H36A H 0.5634 0.3306 0.1955 0.029 Uiso 1 1 calc R
H36B H 0.5535 0.3323 0.0559 0.029 Uiso 1 1 calc R
Cd1 Cd 1.12018(4) 0.0000 -0.15569(5) 0.0220(2) Uani 1 2 d S
Cd2 Cd 0.82452(4) 0.0000 -0.24311(8) 0.0185(2) Uani 1 2 d S
Cd3 Cd 0.77831(4) 0.0000 0.16328(9) 0.01880(19) Uani 1 2 d S
Cd4 Cd 0.49040(4) 0.0000 0.06639(6) 0.0235(3) Uani 1 2 d S
Cd5 Cd 0.45100(5) 0.0000 0.49216(8) 0.0223(2) Uani 1 2 d S
Cd6 Cd 0.15782(4) 0.0000 0.42034(11) 0.01922(18) Uani 1 2 d S
Cl1 Cl 1.27064(13) 0.0000 -0.1065(2) 0.0244(5) Uani 1 2 d S
Cl2 Cl 1.08237(14) 0.0000 -0.37970(19) 0.0257(5) Uani 1 2 d S
Cl3 Cl 1.11881(9) 0.08646(5) -0.08156(14) 0.0240(4) Uani 1 1 d .
Cl4 Cl 0.96189(12) 0.0000 -0.1210(2) 0.0250(5) Uani 1 2 d S
Cl5 Cl 0.83324(12) 0.0000 -0.46705(19) 0.0202(4) Uani 1 2 d S
Cl6 Cl 0.77751(9) 0.08729(5) -0.27620(17) 0.0214(3) Uani 1 1 d .
Cl7 Cl 0.74422(13) 0.0000 -0.06083(19) 0.0210(4) Uani 1 2 d S
Cl8 Cl 0.93111(12) 0.0000 0.2281(2) 0.0224(5) Uani 1 2 d S
Cl9 Cl 0.78345(9) 0.08686(5) 0.23682(17) 0.0211(3) Uani 1 1 d .
Cl10 Cl 0.62698(12) 0.0000 0.1970(2) 0.0247(5) Uani 1 2 d S
Cl11 Cl 0.49932(12) 0.0000 -0.1565(2) 0.0234(5) Uani 1 2 d S
Cl12 Cl 0.44603(10) 0.08735(5) 0.04059(15) 0.0263(4) Uani 1 1 d .
Cl13 Cl 0.41777(13) 0.0000 0.26749(19) 0.0256(5) Uani 1 2 d S
Cl14 Cl 0.60106(12) 0.0000 0.56151(19) 0.0220(4) Uani 1 2 d S
Cl15 Cl 0.45189(10) -0.08845(6) 0.55294(15) 0.0265(4) Uani 1 1 d .
Cl16 Cl 0.16882(12) 0.0000 0.20075(19) 0.0204(5) Uani 1 2 d S
Cl17 Cl 0.29866(12) 0.0000 0.5346(2) 0.0250(5) Uani 1 2 d S
Cl18 Cl 0.11161(9) -0.08677(6) 0.40481(14) 0.0261(4) Uani 1 1 d .
N1 N 0.2873(3) 0.0779(2) 0.1193(5) 0.0255(13) Uani 1 1 d .
H1A H 0.2873 0.0518 0.1656 0.038 Uiso 1 1 calc R
H1B H 0.3235 0.0743 0.0798 0.038 Uiso 1 1 calc R
H1C H 0.2410 0.0809 0.0667 0.038 Uiso 1 1 calc R
N2 N 0.3559(3) 0.07887(19) 0.7534(5) 0.0265(13) Uani 1 1 d .
H2C H 0.3823 0.0845 0.8293 0.040 Uiso 1 1 calc R
H2D H 0.3890 0.0724 0.7098 0.040 Uiso 1 1 calc R
H2E H 0.3245 0.0533 0.7507 0.040 Uiso 1 1 calc R
N3 N 0.6093(3) 0.0798(2) 0.7798(5) 0.0261(13) Uani 1 1 d .
H3C H 0.6578 0.0812 0.7736 0.039 Uiso 1 1 calc R
H3D H 0.5765 0.0799 0.7066 0.039 Uiso 1 1 calc R
H3E H 0.6030 0.0524 0.8180 0.039 Uiso 1 1 calc R
N4 N 0.1885(3) 0.42183(18) 0.4412(5) 0.0186(11) Uani 1 1 d .
H4C H 0.2242 0.4241 0.5114 0.028 Uiso 1 1 calc R
H4D H 0.1584 0.4483 0.4303 0.028 Uiso 1 1 calc R
H4E H 0.2117 0.4197 0.3820 0.028 Uiso 1 1 calc R
N5 N 0.4433(3) 0.42427(19) 0.4524(5) 0.0240(12) Uani 1 1 d .
H5C H 0.4931 0.4246 0.4522 0.036 Uiso 1 1 calc R
H5D H 0.4335 0.4500 0.4934 0.036 Uiso 1 1 calc R
H5E H 0.4136 0.4257 0.3771 0.036 Uiso 1 1 calc R
N6 N 0.5226(3) 0.42045(19) 0.1172(5) 0.0213(12) Uani 1 1 d .
H6C H 0.5577 0.4207 0.1884 0.032 Uiso 1 1 calc R
H6D H 0.4929 0.4471 0.1103 0.032 Uiso 1 1 calc R
H6E H 0.5466 0.4202 0.0588 0.032 Uiso 1 1 calc R
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'
Cd Cd -0.8075 1.2024 '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'
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
C6 C1 N1 111.1(7) . .
C6 C1 C2 114.2(7) . .
N1 C1 C2 109.1(6) . .
C6 C1 H1 107.4 . .
N1 C1 H1 107.4 . .
C2 C1 H1 107.4 . .
C3 C2 C1 110.8(6) . .
C3 C2 H2A 109.5 . .
C1 C2 H2A 109.5 . .
C3 C2 H2B 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 108.1 . .
C4 C3 C2 111.9(7) . .
C4 C3 H3A 109.2 . .
C2 C3 H3A 109.2 . .
C4 C3 H3B 109.2 . .
C2 C3 H3B 109.2 . .
H3A C3 H3B 107.9 . .
C3 C4 C5 111.5(7) . .
C3 C4 H4A 109.3 . .
C5 C4 H4A 109.3 . .
C3 C4 H4B 109.3 . .
C5 C4 H4B 109.3 . .
H4A C4 H4B 108.0 . .
C6 C5 C4 110.9(6) . .
C6 C5 H5A 109.5 . .
C4 C5 H5A 109.5 . .
C6 C5 H5B 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 108.1 . .
C1 C6 C5 111.5(7) . .
C1 C6 H6A 109.3 . .
C5 C6 H6A 109.3 . .
C1 C6 H6B 109.3 . .
C5 C6 H6B 109.3 . .
H6A C6 H6B 108.0 . .
C12 C7 N2 110.4(6) . .
C12 C7 C8 111.8(7) . .
N2 C7 C8 106.0(6) . .
C12 C7 H7 109.6 . .
N2 C7 H7 109.6 . .
C8 C7 H7 109.6 . .
C7 C8 C9 109.0(6) . .
C7 C8 H8A 109.9 . .
C9 C8 H8A 109.9 . .
C7 C8 H8B 109.9 . .
C9 C8 H8B 109.9 . .
H8A C8 H8B 108.3 . .
C10 C9 C8 110.3(6) . .
C10 C9 H9A 109.6 . .
C8 C9 H9A 109.6 . .
C10 C9 H9B 109.6 . .
C8 C9 H9B 109.6 . .
H9A C9 H9B 108.1 . .
C9 C10 C11 111.6(6) . .
C9 C10 H10A 109.3 . .
C11 C10 H10A 109.3 . .
C9 C10 H10B 109.3 . .
C11 C10 H10B 109.3 . .
H10A C10 H10B 108.0 . .
C10 C11 C12 109.5(6) . .
C10 C11 H11A 109.8 . .
C12 C11 H11A 109.8 . .
C10 C11 H11B 109.8 . .
C12 C11 H11B 109.8 . .
H11A C11 H11B 108.2 . .
C7 C12 C11 111.7(6) . .
C7 C12 H12A 109.3 . .
C11 C12 H12A 109.3 . .
C7 C12 H12B 109.3 . .
C11 C12 H12B 109.3 . .
H12A C12 H12B 108.0 . .
C18 C13 N3 109.6(5) . .
C18 C13 C14 112.4(6) . .
N3 C13 C14 108.6(5) . .
C18 C13 H13 108.7 . .
N3 C13 H13 108.7 . .
C14 C13 H13 108.7 . .
C15 C14 C13 109.5(5) . .
C15 C14 H14A 109.8 . .
C13 C14 H14A 109.8 . .
C15 C14 H14B 109.8 . .
C13 C14 H14B 109.8 . .
H14A C14 H14B 108.2 . .
C16 C15 C14 111.1(6) . .
C16 C15 H15A 109.4 . .
C14 C15 H15A 109.4 . .
C16 C15 H15B 109.4 . .
C14 C15 H15B 109.4 . .
H15A C15 H15B 108.0 . .
C15 C16 C17 111.5(6) . .
C15 C16 H16A 109.3 . .
C17 C16 H16A 109.3 . .
C15 C16 H16B 109.3 . .
C17 C16 H16B 109.3 . .
H16A C16 H16B 108.0 . .
C18 C17 C16 110.0(5) . .
C18 C17 H17A 109.7 . .
C16 C17 H17A 109.7 . .
C18 C17 H17B 109.7 . .
C16 C17 H17B 109.7 . .
H17A C17 H17B 108.2 . .
C13 C18 C17 111.5(5) . .
C13 C18 H18A 109.3 . .
C17 C18 H18A 109.3 . .
C13 C18 H18B 109.3 . .
C17 C18 H18B 109.3 . .
H18A C18 H18B 108.0 . .
N4 C19 C20 112.2(5) . .
N4 C19 C24 108.6(5) . .
C20 C19 C24 112.9(6) . .
N4 C19 H19 107.6 . .
C20 C19 H19 107.6 . .
C24 C19 H19 107.6 . .
C19 C20 C21 111.8(5) . .
C19 C20 H20A 109.3 . .
C21 C20 H20A 109.3 . .
C19 C20 H20B 109.3 . .
C21 C20 H20B 109.3 . .
H20A C20 H20B 107.9 . .
C22 C21 C20 110.6(5) . .
C22 C21 H21A 109.5 . .
C20 C21 H21A 109.5 . .
C22 C21 H21B 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 108.1 . .
C23 C22 C21 112.6(6) . .
C23 C22 H22A 109.1 . .
C21 C22 H22A 109.1 . .
C23 C22 H22B 109.1 . .
C21 C22 H22B 109.1 . .
H22A C22 H22B 107.8 . .
C22 C23 C24 110.9(6) . .
C22 C23 H23A 109.5 . .
C24 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
C24 C23 H23B 109.5 . .
H23A C23 H23B 108.0 . .
C19 C24 C23 109.4(6) . .
C19 C24 H24A 109.8 . .
C23 C24 H24A 109.8 . .
C19 C24 H24B 109.8 . .
C23 C24 H24B 109.8 . .
H24A C24 H24B 108.2 . .
C30 C25 N5 108.8(5) . .
C30 C25 C26 112.8(5) . .
N5 C25 C26 109.6(5) . .
C30 C25 H25 108.5 . .
N5 C25 H25 108.5 . .
C26 C25 H25 108.5 . .
C27 C26 C25 110.9(6) . .
C27 C26 H26A 109.5 . .
C25 C26 H26A 109.5 . .
C27 C26 H26B 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 108.0 . .
C26 C27 C28 111.4(6) . .
C26 C27 H27A 109.3 . .
C28 C27 H27A 109.3 . .
C26 C27 H27B 109.3 . .
C28 C27 H27B 109.3 . .
H27A C27 H27B 108.0 . .
C27 C28 C29 112.0(6) . .
C27 C28 H28A 109.2 . .
C29 C28 H28A 109.2 . .
C27 C28 H28B 109.2 . .
C29 C28 H28B 109.2 . .
H28A C28 H28B 107.9 . .
C30 C29 C28 109.9(6) . .
C30 C29 H29A 109.7 . .
C28 C29 H29A 109.7 . .
C30 C29 H29B 109.7 . .
C28 C29 H29B 109.7 . .
H29A C29 H29B 108.2 . .
C25 C30 C29 111.2(5) . .
C25 C30 H30A 109.4 . .
C29 C30 H30A 109.4 . .
C25 C30 H30B 109.4 . .
C29 C30 H30B 109.4 . .
H30A C30 H30B 108.0 . .
C32 C31 N6 110.7(6) . .
C32 C31 C36 113.6(6) . .
N6 C31 C36 108.3(5) . .
C32 C31 H31 108.0 . .
N6 C31 H31 108.0 . .
C36 C31 H31 108.0 . .
C31 C32 C33 110.0(6) . .
C31 C32 H32A 109.7 . .
C33 C32 H32A 109.7 . .
C31 C32 H32B 109.7 . .
C33 C32 H32B 109.7 . .
H32A C32 H32B 108.2 . .
C32 C33 C34 110.4(6) . .
C32 C33 H33A 109.6 . .
C34 C33 H33A 109.6 . .
C32 C33 H33B 109.6 . .
C34 C33 H33B 109.6 . .
H33A C33 H33B 108.1 . .
C35 C34 C33 110.9(7) . .
C35 C34 H34A 109.5 . .
C33 C34 H34A 109.5 . .
C35 C34 H34B 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 108.0 . .
C34 C35 C36 112.6(6) . .
C34 C35 H35A 109.1 . .
C36 C35 H35A 109.1 . .
C34 C35 H35B 109.1 . .
C36 C35 H35B 109.1 . .
H35A C35 H35B 107.8 . .
C31 C36 C35 109.6(5) . .
C31 C36 H36A 109.7 . .
C35 C36 H36A 109.7 . .
C31 C36 H36B 109.7 . .
C35 C36 H36B 109.7 . .
H36A C36 H36B 108.2 . .
Cl2 Cd1 Cl3 109.18(4) . 2
Cl2 Cd1 Cl3 109.18(4) . .
Cl3 Cd1 Cl3 139.87(8) 2 .
Cl2 Cd1 Cl1 101.87(7) . .
Cl3 Cd1 Cl1 91.67(4) 2 .
Cl3 Cd1 Cl1 91.67(4) . .
Cl2 Cd1 Cl4 97.76(7) . .
Cl3 Cd1 Cl4 81.82(4) 2 .
Cl3 Cd1 Cl4 81.82(4) . .
Cl1 Cd1 Cl4 160.36(7) . .
Cl4 Cd2 Cl6 108.98(4) . 2
Cl4 Cd2 Cl6 108.98(4) . .
Cl6 Cd2 Cl6 141.77(8) 2 .
Cl4 Cd2 Cl5 104.39(8) . .
Cl6 Cd2 Cl5 87.47(4) 2 .
Cl6 Cd2 Cl5 87.47(4) . .
Cl4 Cd2 Cl7 101.46(8) . .
Cl6 Cd2 Cl7 84.16(4) 2 .
Cl6 Cd2 Cl7 84.16(4) . .
Cl5 Cd2 Cl7 154.16(7) . .
Cl7 Cd3 Cl9 109.10(4) . 2
Cl7 Cd3 Cl9 109.10(4) . .
Cl9 Cd3 Cl9 141.47(8) 2 .
Cl7 Cd3 Cl8 104.06(7) . .
Cl9 Cd3 Cl8 87.84(4) 2 .
Cl9 Cd3 Cl8 87.84(4) . .
Cl7 Cd3 Cl10 99.42(7) . .
Cl9 Cd3 Cl10 84.49(4) 2 .
Cl9 Cd3 Cl10 84.49(4) . .
Cl8 Cd3 Cl10 156.52(8) . .
Cl12 Cd4 Cl12 144.20(9) 2 .
Cl12 Cd4 Cl10 107.38(4) 2 .
Cl12 Cd4 Cl10 107.38(4) . .
Cl12 Cd4 Cl11 89.06(4) 2 .
Cl12 Cd4 Cl11 89.06(4) . .
Cl10 Cd4 Cl11 106.62(8) . .
Cl12 Cd4 Cl13 84.34(4) 2 .
Cl12 Cd4 Cl13 84.34(4) . .
Cl10 Cd4 Cl13 95.18(8) . .
Cl11 Cd4 Cl13 158.21(7) . .
Cl13 Cd5 Cl15 105.75(4) . 2
Cl13 Cd5 Cl15 105.75(4) . .
Cl15 Cd5 Cl15 147.79(9) 2 .
Cl13 Cd5 Cl14 105.13(8) . .
Cl15 Cd5 Cl14 89.13(5) 2 .
Cl15 Cd5 Cl14 89.13(5) . .
Cl13 Cd5 Cl17 101.59(7) . .
Cl15 Cd5 Cl17 83.63(5) 2 .
Cl15 Cd5 Cl17 83.63(5) . .
Cl14 Cd5 Cl17 153.28(7) . .
Cl18 Cd6 Cl18 142.77(8) . 2
Cl18 Cd6 Cl17 107.69(4) . .
Cl18 Cd6 Cl17 107.69(4) 2 .
Cl18 Cd6 Cl16 92.28(5) . .
Cl18 Cd6 Cl16 92.28(5) 2 .
Cl17 Cd6 Cl16 100.72(7) . .
Cl18 Cd6 Cl2 81.11(4) . 1_456
Cl18 Cd6 Cl2 81.11(4) 2 1_456
Cl17 Cd6 Cl2 101.08(8) . 1_456
Cl16 Cd6 Cl2 158.19(7) . 1_456
Cd1 Cl2 Cd6 138.82(10) . 1_654
Cd2 Cl4 Cd1 139.40(10) . .
Cd3 Cl7 Cd2 137.25(9) . .
Cd4 Cl10 Cd3 136.96(10) . .
Cd5 Cl13 Cd4 141.59(9) . .
Cd6 Cl17 Cd5 140.24(10) . .
C1 N1 H1A 109.5 . .
C1 N1 H1B 109.5 . .
H1A N1 H1B 109.5 . .
C1 N1 H1C 109.5 . .
H1A N1 H1C 109.5 . .
H1B N1 H1C 109.5 . .
C7 N2 H2C 109.5 . .
C7 N2 H2D 109.5 . .
H2C N2 H2D 109.5 . .
C7 N2 H2E 109.5 . .
H2C N2 H2E 109.5 . .
H2D N2 H2E 109.5 . .
C13 N3 H3C 109.5 . .
C13 N3 H3D 109.5 . .
H3C N3 H3D 109.5 . .
C13 N3 H3E 109.5 . .
H3C N3 H3E 109.5 . .
H3D N3 H3E 109.5 . .
C19 N4 H4C 109.5 . .
C19 N4 H4D 109.5 . .
H4C N4 H4D 109.5 . .
C19 N4 H4E 109.5 . .
H4C N4 H4E 109.5 . .
H4D N4 H4E 109.5 . .
C25 N5 H5C 109.5 . .
C25 N5 H5D 109.5 . .
H5C N5 H5D 109.5 . .
C25 N5 H5E 109.5 . .
H5C N5 H5E 109.5 . .
H5D N5 H5E 109.5 . .
C31 N6 H6C 109.5 . .
C31 N6 H6D 109.5 . .
H6C N6 H6D 109.5 . .
C31 N6 H6E 109.5 . .
H6C N6 H6E 109.5 . .
H6D N6 H6E 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.424(9) .
C1 N1 1.507(9) .
C1 C2 1.543(10) .
C1 H1 0.9800 .
C2 C3 1.497(10) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.465(10) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.553(10) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.542(10) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C12 1.443(9) .
C7 N2 1.505(9) .
C7 C8 1.547(10) .
C7 H7 0.9800 .
C8 C9 1.566(10) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.468(10) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.525(10) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.547(9) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C18 1.459(9) .
C13 N3 1.521(8) .
C13 C14 1.542(8) .
C13 H13 0.9800 .
C14 C15 1.517(9) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.487(10) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.537(9) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.529(9) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 N4 1.455(8) .
C19 C20 1.468(8) .
C19 C24 1.528(9) .
C19 H19 0.9800 .
C20 C21 1.546(9) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.534(10) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.455(10) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.569(10) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C30 1.486(9) .
C25 N5 1.518(8) .
C25 C26 1.537(8) .
C25 H25 0.9800 .
C26 C27 1.492(9) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.499(10) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 C29 1.555(10) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.536(9) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.469(9) .
C31 N6 1.486(8) .
C31 C36 1.528(9) .
C31 H31 0.9800 .
C32 C33 1.544(9) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C34 1.553(10) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.453(10) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C36 1.558(9) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
Cd1 Cl2 2.489(2) .
Cd1 Cl3 2.5105(16) 2
Cd1 Cl3 2.5105(16) .
Cd1 Cl1 2.596(2) .
Cd1 Cl4 2.961(2) .
Cd2 Cl4 2.484(2) .
Cd2 Cl6 2.5196(16) 2
Cd2 Cl6 2.5196(16) .
Cd2 Cl5 2.627(2) .
Cd2 Cl7 2.843(2) .
Cd3 Cl7 2.491(2) .
Cd3 Cl9 2.5096(16) 2
Cd3 Cl9 2.5096(16) .
Cd3 Cl8 2.632(2) .
Cd3 Cl10 2.834(2) .
Cd4 Cl12 2.5033(17) 2
Cd4 Cl12 2.5033(17) .
Cd4 Cl10 2.504(2) .
Cd4 Cl11 2.616(3) .
Cd4 Cl13 2.943(3) .
Cd5 Cl13 2.498(2) .
Cd5 Cl15 2.5109(17) 2
Cd5 Cl15 2.5109(17) .
Cd5 Cl14 2.587(2) .
Cd5 Cl17 2.892(3) .
Cd6 Cl18 2.4972(16) .
Cd6 Cl18 2.4972(16) 2
Cd6 Cl17 2.511(2) .
Cd6 Cl16 2.591(2) .
Cd6 Cl2 2.965(2) 1_456
Cl2 Cd6 2.965(2) 1_654
N1 H1A 0.8900 .
N1 H1B 0.8900 .
N1 H1C 0.8900 .
N2 H2C 0.8900 .
N2 H2D 0.8900 .
N2 H2E 0.8900 .
N3 H3C 0.8900 .
N3 H3D 0.8900 .
N3 H3E 0.8900 .
N4 H4C 0.8900 .
N4 H4D 0.8900 .
N4 H4E 0.8900 .
N5 H5C 0.8900 .
N5 H5D 0.8900 .
N5 H5E 0.8900 .
N6 H6C 0.8900 .
N6 H6D 0.8900 .
N6 H6E 0.8900 .
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
N1 H1A Cl16 0.89 2.67 3.308(6) 129.9 .
N1 H1A Cl13 0.89 2.71 3.279(6) 122.7 .
N1 H1B Cl12 0.89 2.38 3.211(6) 155.9 .
N1 H1C Cl3 0.89 2.39 3.281(6) 177.1 1_455
N2 H2C Cl12 0.89 2.40 3.281(6) 171.0 1_556
N2 H2D Cl15 0.89 2.41 3.234(6) 154.3 2
N2 H2E Cl1 0.89 2.57 3.298(6) 139.6 1_456
N2 H2E Cl17 0.89 2.81 3.265(6) 112.9 .
N3 H3C Cl6 0.89 2.36 3.246(6) 170.8 1_556
N3 H3D Cl15 0.89 2.46 3.300(6) 157.6 2
N3 H3D Cl14 0.89 2.85 3.300(6) 112.8 .
N3 H3E Cl11 0.89 2.42 3.147(6) 139.3 1_556
N3 H3E Cl7 0.89 2.91 3.400(6) 116.2 1_556
N4 H4C Cl6 0.89 2.40 3.232(5) 156.0 4_456
N4 H4C Cl5 0.89 2.81 3.301(5) 116.3 3_456
N4 H4D Cl14 0.89 2.48 3.173(5) 135.1 3_455
N4 H4D Cl10 0.89 2.95 3.468(5) 118.4 3_455
N4 H4E Cl9 0.89 2.37 3.258(5) 175.2 4_455
N5 H5C Cl18 0.89 2.34 3.212(6) 164.8 3
N5 H5C Cl2 0.89 2.98 3.410(6) 111.5 3_456
N5 H5D Cl5 0.89 2.39 3.158(6) 144.6 3_456
N5 H5E Cl9 0.89 2.48 3.263(6) 147.5 4_455
N5 H5E Cl8 0.89 2.73 3.271(5) 120.5 3_455
N6 H6C Cl18 0.89 2.43 3.279(6) 159.1 3
N6 H6C Cl16 0.89 2.91 3.335(5) 110.8 3
N6 H6D Cl8 0.89 2.44 3.182(5) 141.3 3_455
N6 H6D Cl4 0.89 2.95 3.441(6) 116.4 3_455
N6 H6E Cl3 0.89 2.33 3.216(5) 173.8 4_455
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
C6 C1 C2 C3 54.0(10) . .
N1 C1 C2 C3 179.0(7) . .
C1 C2 C3 C4 -54.3(10) . .
C2 C3 C4 C5 55.7(10) . .
C3 C4 C5 C6 -53.7(10) . .
N1 C1 C6 C5 -176.9(6) . .
C2 C1 C6 C5 -53.0(10) . .
C4 C5 C6 C1 52.2(10) . .
C12 C7 C8 C9 -56.4(9) . .
N2 C7 C8 C9 -176.7(6) . .
C7 C8 C9 C10 56.3(8) . .
C8 C9 C10 C11 -58.3(9) . .
C9 C10 C11 C12 57.4(9) . .
N2 C7 C12 C11 175.1(7) . .
C8 C7 C12 C11 57.4(9) . .
C10 C11 C12 C7 -56.7(9) . .
C18 C13 C14 C15 -56.3(7) . .
N3 C13 C14 C15 -177.8(6) . .
C13 C14 C15 C16 56.2(8) . .
C14 C15 C16 C17 -57.3(8) . .
C15 C16 C17 C18 55.4(8) . .
N3 C13 C18 C17 177.1(5) . .
C14 C13 C18 C17 56.2(7) . .
C16 C17 C18 C13 -54.8(8) . .
N4 C19 C20 C21 177.9(5) . .
C24 C19 C20 C21 54.8(8) . .
C19 C20 C21 C22 -52.6(8) . .
C20 C21 C22 C23 54.7(8) . .
C21 C22 C23 C24 -56.8(9) . .
N4 C19 C24 C23 179.5(6) . .
C20 C19 C24 C23 -55.4(8) . .
C22 C23 C24 C19 55.9(8) . .
C30 C25 C26 C27 55.5(7) . .
N5 C25 C26 C27 176.8(5) . .
C25 C26 C27 C28 -55.2(8) . .
C26 C27 C28 C29 56.2(9) . .
C27 C28 C29 C30 -54.6(8) . .
N5 C25 C30 C29 -176.7(5) . .
C26 C25 C30 C29 -54.9(8) . .
C28 C29 C30 C25 53.7(8) . .
N6 C31 C32 C33 178.4(6) . .
C36 C31 C32 C33 56.4(9) . .
C31 C32 C33 C34 -56.2(9) . .
C32 C33 C34 C35 56.9(9) . .
C33 C34 C35 C36 -55.9(10) . .
C32 C31 C36 C35 -53.9(8) . .
N6 C31 C36 C35 -177.3(6) . .
C34 C35 C36 C31 53.5(9) . .
Cl3 Cd1 Cl2 Cd6 -96.01(5) 2 1_654
Cl3 Cd1 Cl2 Cd6 96.01(5) . 1_654
Cl1 Cd1 Cl2 Cd6 0.0 . 1_654
Cl4 Cd1 Cl2 Cd6 180.0 . 1_654
Cl6 Cd2 Cl4 Cd1 92.30(5) 2 .
Cl6 Cd2 Cl4 Cd1 -92.30(5) . .
Cl5 Cd2 Cl4 Cd1 0.0 . .
Cl7 Cd2 Cl4 Cd1 180.0 . .
Cl2 Cd1 Cl4 Cd2 0.0 . .
Cl3 Cd1 Cl4 Cd2 -108.39(4) 2 .
Cl3 Cd1 Cl4 Cd2 108.39(4) . .
Cl1 Cd1 Cl4 Cd2 180.0 . .
Cl9 Cd3 Cl7 Cd2 -92.61(5) 2 .
Cl9 Cd3 Cl7 Cd2 92.61(5) . .
Cl8 Cd3 Cl7 Cd2 0.0 . .
Cl10 Cd3 Cl7 Cd2 180.0 . .
Cl4 Cd2 Cl7 Cd3 0.0 . .
Cl6 Cd2 Cl7 Cd3 108.23(4) 2 .
Cl6 Cd2 Cl7 Cd3 -108.23(4) . .
Cl5 Cd2 Cl7 Cd3 180.0 . .
Cl12 Cd4 Cl10 Cd3 94.33(5) 2 .
Cl12 Cd4 Cl10 Cd3 -94.33(5) . .
Cl11 Cd4 Cl10 Cd3 0.0 . .
Cl13 Cd4 Cl10 Cd3 180.0 . .
Cl7 Cd3 Cl10 Cd4 0.0 . .
Cl9 Cd3 Cl10 Cd4 -108.49(4) 2 .
Cl9 Cd3 Cl10 Cd4 108.49(4) . .
Cl8 Cd3 Cl10 Cd4 180.0 . .
Cl15 Cd5 Cl13 Cd4 93.43(5) 2 .
Cl15 Cd5 Cl13 Cd4 -93.43(5) . .
Cl14 Cd5 Cl13 Cd4 0.0 . .
Cl17 Cd5 Cl13 Cd4 180.0 . .
Cl12 Cd4 Cl13 Cd5 107.01(4) 2 .
Cl12 Cd4 Cl13 Cd5 -107.01(4) . .
Cl10 Cd4 Cl13 Cd5 0.0 . .
Cl11 Cd4 Cl13 Cd5 180.0 . .
Cl18 Cd6 Cl17 Cd5 95.90(5) . .
Cl18 Cd6 Cl17 Cd5 -95.90(5) 2 .
Cl16 Cd6 Cl17 Cd5 0.0 . .
Cl2 Cd6 Cl17 Cd5 180.0 1_456 .
Cl13 Cd5 Cl17 Cd6 0.0 . .
Cl15 Cd5 Cl17 Cd6 104.82(4) 2 .
Cl15 Cd5 Cl17 Cd6 -104.82(4) . .
Cl14 Cd5 Cl17 Cd6 180.0 . .
