# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lv4825
_audit_block_doi                 10.5517/ccdc.csd.cc23rgfs
_database_code_depnum_ccdc_archive 'CCDC 1958965'
loop_
_audit_author_name
_audit_author_address
'Brian Skelton'
;University of Western Australia
Australia
;
_audit_update_record             
;
2019-10-12 deposited with the CCDC.	2021-02-08 downloaded from the CCDC.
;

_vrf_PLAT931_lv4825              
;
PROBLEM:Check Twin Law ( )[ 1 0  4] Estimated BASF       0.09  
          
RESPONSE: Twin Law (-1 0 0 0 -1 0 0.5 0 1) was applied in the refinement 
  where the twin component fraction refined to 0.044.
;


_vrf_PLAT910_lv4825              
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         13 Note  
          
RESPONSE: These reflections were obscured by the beam stop mask. Default
 values were used for the size of the mask.
;



_audit_creation_date             2019-10-12T08:12:00-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_sum            'C26 H24 Cd Cl4 N6'
_chemical_formula_moiety         '2(C13 H12 N3), Cd Cl4'
_chemical_formula_weight         674.71

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.5133(2)
_cell_length_b                   15.9736(6)
_cell_length_c                   22.5132(8)
_cell_angle_alpha                90
_cell_angle_beta                 94.998(3)
_cell_angle_gamma                90
_cell_volume                     2691.64(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7405
_cell_measurement_theta_min      3.3947
_cell_measurement_theta_max      32.3428

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_F_000             1352
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 0 0 0.1247
1 0 0 0.1776
0 1 -2 0.0209
0 -1 2 0.0284
0 1 1 0.0049
0 -1 -1 0.0385


#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.237
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
      CrysAlisPro, Agilent Technologies.
;
_exptl_absorpt_correction_T_min  0.767
_exptl_absorpt_correction_T_max  0.95

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_detector_area_resol_mean 10.4738
_diffrn_orient_matrix_ub_11      -0.0652639
_diffrn_orient_matrix_ub_12      0.0288889
_diffrn_orient_matrix_ub_13      0.0082377
_diffrn_orient_matrix_ub_21      0.0677494
_diffrn_orient_matrix_ub_22      0.0302338
_diffrn_orient_matrix_ub_23      0.0067887
_diffrn_orient_matrix_ub_31      -0.0112717
_diffrn_orient_matrix_ub_32      0.0148328
_diffrn_orient_matrix_ub_33      -0.0297966
_diffrn_measurement_device_type  'Oxford Diffraction Gemini diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.0612
_diffrn_reflns_av_unetI/netI     0.1231
_diffrn_reflns_number            29999
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         3.402
_diffrn_reflns_theta_max         30.998
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.965
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.965
_reflns_Friedel_coverage         0
_reflns_number_total             8604
_reflns_number_gt                7181
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       
;
        CrysAlisPro, Agilent Technologies, Version 1.171.35.21 
;
_computing_cell_refinement       
;
        CrysAlisPro, Agilent Technologies, Version 1.171.35.21 
;
_computing_data_reduction        
;
        CrysAlisPro, Agilent Technologies, Version 1.171.35.21 
;
_computing_molecular_graphics    'Diamond (Brandenburg, K., (1999)'
_computing_publication_material  'WinGX Farrugia, L. J. (1999)'
_computing_structure_refinement  'SHELXL-2017 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'



#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;The Twin Law (-1 0 0 0 -1 0 0.5 0 1) was applied in the refinement 
  where the twin component fraction refined to 0.044.,Twin
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+33.4690P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         8604
_refine_ls_number_parameters     337
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0788
_refine_ls_R_factor_gt           0.0627
_refine_ls_wR_factor_ref         0.1411
_refine_ls_wR_factor_gt          0.1328
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.942
_refine_diff_density_min         -0.8
_refine_diff_density_rms         0.169

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
Cd1 Cd 0.17915(5) 0.24568(2) 0.12287(2) 0.01381(8) Uani 1 1 d . . . . .
Cl1 Cl -0.10658(17) 0.17405(8) 0.10486(6) 0.0188(2) Uani 1 1 d . . . . .
Cl2 Cl 0.41803(16) 0.14134(8) 0.12693(6) 0.0179(2) Uani 1 1 d . . . . .
Cl3 Cl 0.18792(18) 0.31611(8) 0.22085(5) 0.0183(2) Uani 1 1 d . . . . .
Cl4 Cl 0.22679(18) 0.35524(8) 0.04764(6) 0.0197(2) Uani 1 1 d . . . . .
C11 C 0.7918(7) 0.1466(3) 0.2522(2) 0.0155(9) Uani 1 1 d . . . . .
H11 H 0.743541 0.122098 0.215855 0.019 Uiso 1 1 calc R U . . .
N12 N 0.7850(5) 0.2293(3) 0.26723(19) 0.0140(8) Uani 1 1 d . . . . .
C12 C 0.6876(7) 0.2926(3) 0.2279(2) 0.0169(10) Uani 1 1 d . . . . .
H12A H 0.615337 0.328233 0.25182 0.025 Uiso 1 1 calc R U . . .
H12B H 0.609484 0.263867 0.197212 0.025 Uiso 1 1 calc R U . . .
H12C H 0.773912 0.327195 0.208754 0.025 Uiso 1 1 calc R U . . .
C13 C 0.8681(6) 0.2429(3) 0.3217(2) 0.0135(8) Uani 1 1 d . . . . .
N13A N 0.9288(6) 0.1670(3) 0.34240(19) 0.0137(8) Uani 1 1 d . . . . .
C14 C 1.0257(7) 0.1465(3) 0.3960(2) 0.0169(10) Uani 1 1 d . . . . .
H14 H 1.059348 0.18836 0.424806 0.02 Uiso 1 1 calc R U . . .
C15 C 1.0705(7) 0.0656(3) 0.4059(2) 0.0187(10) Uani 1 1 d . . . . .
H15 H 1.139277 0.051072 0.441851 0.022 Uiso 1 1 calc R U . . .
C16 C 1.0176(7) 0.0011(4) 0.3640(3) 0.0200(10) Uani 1 1 d . . . . .
H16 H 1.046681 -0.055566 0.373056 0.024 Uiso 1 1 calc R U . . .
C17 C 0.9265(7) 0.0207(3) 0.3114(3) 0.0186(10) Uani 1 1 d . . . . .
H17 H 0.893245 -0.021712 0.282979 0.022 Uiso 1 1 calc R U . . .
C17A C 0.8811(7) 0.1056(3) 0.2992(2) 0.0155(9) Uani 1 1 d . . . . .
C21 C 0.6206(7) 0.0671(3) 0.4369(2) 0.0182(10) Uani 1 1 d . . . . .
H21 H 0.679496 0.022377 0.458315 0.022 Uiso 1 1 calc R U . . .
N22 N 0.6077(6) 0.1476(3) 0.45635(19) 0.0147(8) Uani 1 1 d . . . . .
C22 C 0.6961(8) 0.1774(4) 0.5133(2) 0.0227(11) Uani 1 1 d . . . . .
H22A H 0.725149 0.236957 0.509946 0.034 Uiso 1 1 calc R U . . .
H22B H 0.806138 0.145476 0.523024 0.034 Uiso 1 1 calc R U . . .
H22C H 0.615862 0.169748 0.544963 0.034 Uiso 1 1 calc R U . . .
C23 C 0.5137(6) 0.1949(3) 0.4151(2) 0.0135(9) Uani 1 1 d . . . . .
N23A N 0.4689(5) 0.1431(3) 0.36792(19) 0.0125(8) Uani 1 1 d . . . . .
C24 C 0.3689(7) 0.1609(3) 0.3142(2) 0.0154(9) Uani 1 1 d . . . . .
H24 H 0.3228 0.215471 0.305904 0.019 Uiso 1 1 calc R U . . .
C25 C 0.3402(7) 0.0981(4) 0.2746(2) 0.0201(11) Uani 1 1 d . . . . .
H25 H 0.271242 0.108874 0.237981 0.024 Uiso 1 1 calc R U . . .
C26 C 0.4100(7) 0.0160(3) 0.2858(3) 0.0207(11) Uani 1 1 d . . . . .
H26 H 0.390504 -0.026173 0.256188 0.025 Uiso 1 1 calc R U . . .
C27 C 0.5036(7) -0.0024(3) 0.3382(3) 0.0201(11) Uani 1 1 d . . . . .
H27 H 0.548105 -0.057283 0.34611 0.024 Uiso 1 1 calc R U . . .
C27A C 0.5337(7) 0.0624(3) 0.3812(2) 0.0162(9) Uani 1 1 d . . . . .
C131 C 0.8886(6) 0.3225(3) 0.3544(2) 0.0128(9) Uani 1 1 d . . . . .
C136 C 0.9145(7) 0.3981(3) 0.3251(2) 0.0157(9) Uani 1 1 d . . . . .
H136 H 0.926058 0.399439 0.283394 0.019 Uiso 1 1 calc R U . . .
C135 C 0.9229(7) 0.4704(3) 0.3581(2) 0.0177(10) Uani 1 1 d . . . . .
H135 H 0.939097 0.523013 0.33962 0.021 Uiso 1 1 calc R U . . .
C134 C 0.9074(7) 0.4656(3) 0.4186(2) 0.0183(10) Uani 1 1 d . . . . .
H134 H 0.910992 0.515009 0.442169 0.022 Uiso 1 1 calc R U . . .
C133 C 0.8867(7) 0.3884(4) 0.4446(2) 0.0195(10) Uani 1 1 d . . . . .
H133 H 0.879037 0.385925 0.486438 0.023 Uiso 1 1 calc R U . . .
N132 N 0.8768(6) 0.3166(3) 0.41346(19) 0.0165(8) Uani 1 1 d . . . . .
C231 C 0.4658(6) 0.2833(3) 0.4176(2) 0.0134(9) Uani 1 1 d . . . . .
C236 C 0.4245(7) 0.3203(4) 0.4712(2) 0.0192(10) Uani 1 1 d . . . . .
H236 H 0.423964 0.288343 0.506784 0.023 Uiso 1 1 calc R U . . .
C235 C 0.3843(7) 0.4051(4) 0.4705(3) 0.0215(11) Uani 1 1 d . . . . .
H235 H 0.357535 0.432514 0.506124 0.026 Uiso 1 1 calc R U . . .
C234 C 0.3836(7) 0.4493(3) 0.4181(3) 0.0192(10) Uani 1 1 d . . . . .
H234 H 0.356355 0.507347 0.416714 0.023 Uiso 1 1 calc R U . . .
C233 C 0.4238(7) 0.4064(3) 0.3671(2) 0.0197(10) Uani 1 1 d . . . . .
H233 H 0.421111 0.436799 0.33073 0.024 Uiso 1 1 calc R U . . .
N232 N 0.4659(6) 0.3253(3) 0.36614(19) 0.0152(8) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Cd1 Cl1 2.4353(13) . ?
Cd1 Cl2 2.4452(13) . ?
Cd1 Cl3 2.4719(13) . ?
Cd1 Cl4 2.4829(13) . ?
C11 N12 1.365(6) . ?
C11 C17A 1.370(7) . ?
C11 H11 0.95 . ?
N12 C13 1.344(6) . ?
N12 C12 1.494(7) . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C13 N13A 1.364(6) . ?
C13 C131 1.470(7) . ?
N13A C14 1.393(7) . ?
N13A C17A 1.405(7) . ?
C14 C15 1.348(7) . ?
C14 H14 0.95 . ?
C15 C16 1.431(8) . ?
C15 H15 0.95 . ?
C16 C17 1.352(8) . ?
C16 H16 0.95 . ?
C17 C17A 1.418(7) . ?
C17 H17 0.95 . ?
C21 N22 1.364(7) . ?
C21 C27A 1.365(7) . ?
C21 H21 0.95 . ?
N22 C23 1.348(6) . ?
N22 C22 1.472(7) . ?
C22 H22A 0.98 . ?
C22 H22B 0.98 . ?
C22 H22C 0.98 . ?
C23 N23A 1.366(6) . ?
C23 C231 1.460(7) . ?
N23A C24 1.396(6) . ?
N23A C27A 1.401(6) . ?
C24 C25 1.348(7) . ?
C24 H24 0.95 . ?
C25 C26 1.428(8) . ?
C25 H25 0.95 . ?
C26 C27 1.352(8) . ?
C26 H26 0.95 . ?
C27 C27A 1.421(7) . ?
C27 H27 0.95 . ?
C131 N132 1.343(6) . ?
C131 C136 1.399(7) . ?
C136 C135 1.372(7) . ?
C136 H136 0.95 . ?
C135 C134 1.379(8) . ?
C135 H135 0.95 . ?
C134 C133 1.380(8) . ?
C134 H134 0.95 . ?
C133 N132 1.343(7) . ?
C133 H133 0.95 . ?
C231 N232 1.339(6) . ?
C231 C236 1.403(7) . ?
C236 C235 1.388(8) . ?
C236 H236 0.95 . ?
C235 C234 1.375(8) . ?
C235 H235 0.95 . ?
C234 C233 1.393(8) . ?
C234 H234 0.95 . ?
C233 N232 1.334(7) . ?
C233 H233 0.95 . ?

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
Cl1 Cd1 Cl2 108.63(5) . . ?
Cl1 Cd1 Cl3 108.48(5) . . ?
Cl2 Cd1 Cl3 108.33(4) . . ?
Cl1 Cd1 Cl4 113.27(5) . . ?
Cl2 Cd1 Cl4 110.92(5) . . ?
Cl3 Cd1 Cl4 107.08(5) . . ?
N12 C11 C17A 107.3(4) . . ?
N12 C11 H11 126.3 . . ?
C17A C11 H11 126.3 . . ?
C13 N12 C11 111.0(4) . . ?
C13 N12 C12 126.6(4) . . ?
C11 N12 C12 122.3(4) . . ?
N12 C12 H12A 109.5 . . ?
N12 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N12 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N12 C13 N13A 106.4(4) . . ?
N12 C13 C131 128.1(5) . . ?
N13A C13 C131 125.4(4) . . ?
C13 N13A C14 129.7(4) . . ?
C13 N13A C17A 109.1(4) . . ?
C14 N13A C17A 121.2(4) . . ?
C15 C14 N13A 118.2(5) . . ?
C15 C14 H14 120.9 . . ?
N13A C14 H14 120.9 . . ?
C14 C15 C16 122.0(5) . . ?
C14 C15 H15 119 . . ?
C16 C15 H15 119 . . ?
C17 C16 C15 120.1(5) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C17A 119.0(5) . . ?
C16 C17 H17 120.5 . . ?
C17A C17 H17 120.5 . . ?
C11 C17A N13A 106.2(4) . . ?
C11 C17A C17 134.4(5) . . ?
N13A C17A C17 119.4(5) . . ?
N22 C21 C27A 107.8(5) . . ?
N22 C21 H21 126.1 . . ?
C27A C21 H21 126.1 . . ?
C23 N22 C21 110.8(4) . . ?
C23 N22 C22 126.0(5) . . ?
C21 N22 C22 123.1(4) . . ?
N22 C22 H22A 109.5 . . ?
N22 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N22 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N22 C23 N23A 106.0(4) . . ?
N22 C23 C231 129.2(5) . . ?
N23A C23 C231 124.8(4) . . ?
C23 N23A C24 128.9(4) . . ?
C23 N23A C27A 109.5(4) . . ?
C24 N23A C27A 121.6(4) . . ?
C25 C24 N23A 117.7(5) . . ?
C25 C24 H24 121.2 . . ?
N23A C24 H24 121.2 . . ?
C24 C25 C26 122.1(5) . . ?
C24 C25 H25 118.9 . . ?
C26 C25 H25 118.9 . . ?
C27 C26 C25 120.6(5) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C26 C27 C27A 118.4(5) . . ?
C26 C27 H27 120.8 . . ?
C27A C27 H27 120.8 . . ?
C21 C27A N23A 105.9(5) . . ?
C21 C27A C27 134.6(5) . . ?
N23A C27A C27 119.5(5) . . ?
N132 C131 C136 123.5(5) . . ?
N132 C131 C13 115.0(4) . . ?
C136 C131 C13 121.5(4) . . ?
C135 C136 C131 118.2(5) . . ?
C135 C136 H136 120.9 . . ?
C131 C136 H136 120.9 . . ?
C136 C135 C134 119.0(5) . . ?
C136 C135 H135 120.5 . . ?
C134 C135 H135 120.5 . . ?
C135 C134 C133 119.4(5) . . ?
C135 C134 H134 120.3 . . ?
C133 C134 H134 120.3 . . ?
N132 C133 C134 123.1(5) . . ?
N132 C133 H133 118.5 . . ?
C134 C133 H133 118.5 . . ?
C133 N132 C131 116.8(5) . . ?
N232 C231 C236 123.4(5) . . ?
N232 C231 C23 115.7(4) . . ?
C236 C231 C23 120.9(5) . . ?
C235 C236 C231 117.8(5) . . ?
C235 C236 H236 121.1 . . ?
C231 C236 H236 121.1 . . ?
C234 C235 C236 119.7(5) . . ?
C234 C235 H235 120.2 . . ?
C236 C235 H235 120.2 . . ?
C235 C234 C233 118.1(5) . . ?
C235 C234 H234 120.9 . . ?
C233 C234 H234 120.9 . . ?
N232 C233 C234 124.0(5) . . ?
N232 C233 H233 118 . . ?
C234 C233 H233 118 . . ?
C233 N232 C231 117.1(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C17A C11 N12 C13 0.7(6) . . . . ?
C17A C11 N12 C12 -176.3(4) . . . . ?
C11 N12 C13 N13A -0.4(5) . . . . ?
C12 N12 C13 N13A 176.4(4) . . . . ?
C11 N12 C13 C131 -179.2(5) . . . . ?
C12 N12 C13 C131 -2.3(8) . . . . ?
N12 C13 N13A C14 178.9(5) . . . . ?
C131 C13 N13A C14 -2.3(8) . . . . ?
N12 C13 N13A C17A 0.0(5) . . . . ?
C131 C13 N13A C17A 178.8(4) . . . . ?
C13 N13A C14 C15 -179.8(5) . . . . ?
C17A N13A C14 C15 -1.1(7) . . . . ?
N13A C14 C15 C16 -1.6(8) . . . . ?
C14 C15 C16 C17 2.9(8) . . . . ?
C15 C16 C17 C17A -1.3(8) . . . . ?
N12 C11 C17A N13A -0.6(5) . . . . ?
N12 C11 C17A C17 178.0(6) . . . . ?
C13 N13A C17A C11 0.4(5) . . . . ?
C14 N13A C17A C11 -178.6(4) . . . . ?
C13 N13A C17A C17 -178.5(4) . . . . ?
C14 N13A C17A C17 2.5(7) . . . . ?
C16 C17 C17A C11 -179.7(6) . . . . ?
C16 C17 C17A N13A -1.2(8) . . . . ?
C27A C21 N22 C23 0.6(6) . . . . ?
C27A C21 N22 C22 -175.9(5) . . . . ?
C21 N22 C23 N23A -1.1(6) . . . . ?
C22 N22 C23 N23A 175.2(5) . . . . ?
C21 N22 C23 C231 179.1(5) . . . . ?
C22 N22 C23 C231 -4.6(8) . . . . ?
N22 C23 N23A C24 178.8(5) . . . . ?
C231 C23 N23A C24 -1.4(8) . . . . ?
N22 C23 N23A C27A 1.2(5) . . . . ?
C231 C23 N23A C27A -179.0(4) . . . . ?
C23 N23A C24 C25 -178.9(5) . . . . ?
C27A N23A C24 C25 -1.6(7) . . . . ?
N23A C24 C25 C26 -0.8(8) . . . . ?
C24 C25 C26 C27 2.2(8) . . . . ?
C25 C26 C27 C27A -1.3(8) . . . . ?
N22 C21 C27A N23A 0.2(6) . . . . ?
N22 C21 C27A C27 178.8(6) . . . . ?
C23 N23A C27A C21 -0.9(6) . . . . ?
C24 N23A C27A C21 -178.7(4) . . . . ?
C23 N23A C27A C27 -179.7(4) . . . . ?
C24 N23A C27A C27 2.5(7) . . . . ?
C26 C27 C27A C21 -179.4(6) . . . . ?
C26 C27 C27A N23A -1.0(7) . . . . ?
N12 C13 C131 N132 142.4(5) . . . . ?
N13A C13 C131 N132 -36.1(7) . . . . ?
N12 C13 C131 C136 -36.3(8) . . . . ?
N13A C13 C131 C136 145.2(5) . . . . ?
N132 C131 C136 C135 -2.0(8) . . . . ?
C13 C131 C136 C135 176.5(5) . . . . ?
C131 C136 C135 C134 0.7(8) . . . . ?
C136 C135 C134 C133 1.0(8) . . . . ?
C135 C134 C133 N132 -1.5(8) . . . . ?
C134 C133 N132 C131 0.2(8) . . . . ?
C136 C131 N132 C133 1.6(7) . . . . ?
C13 C131 N132 C133 -177.1(4) . . . . ?
N22 C23 C231 N232 143.7(5) . . . . ?
N23A C23 C231 N232 -36.0(7) . . . . ?
N22 C23 C231 C236 -35.7(8) . . . . ?
N23A C23 C231 C236 144.5(5) . . . . ?
N232 C231 C236 C235 -1.0(8) . . . . ?
C23 C231 C236 C235 178.5(5) . . . . ?
C231 C236 C235 C234 1.0(8) . . . . ?
C236 C235 C234 C233 0.0(8) . . . . ?
C235 C234 C233 N232 -1.1(9) . . . . ?
C234 C233 N232 C231 1.2(8) . . . . ?
C236 C231 N232 C233 -0.1(7) . . . . ?
C23 C231 N232 C233 -179.6(5) . . . . ?

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
_geom_hbond_publ_flag
C12 H12B Cl2 0.98 2.83 3.782(5) 164.1 . yes
C14 H14 N132 0.95 2.47 2.978(7) 113.7 . yes
C17 H17 Cl3 0.95 2.66 3.441(5) 139.7 2_645 yes
C21 H21 Cl4 0.95 2.77 3.581(6) 144.2 2_645 yes
C22 H22A Cl1 0.98 2.78 3.397(6) 121.8 4_666 yes
C24 H24 Cl3 0.95 2.63 3.452(5) 144.4 . yes
C24 H24 N232 0.95 2.41 2.940(7) 114.8 . yes
C133 H133 Cl1 0.95 2.83 3.740(6) 161.7 4_666 yes

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lv737
_audit_block_doi                 10.5517/ccdc.csd.cc23rms9
_database_code_depnum_ccdc_archive 'CCDC 1959131'
loop_
_audit_author_name
_audit_author_address
'Brian Skelton'
;University of Western Australia
Australia
;
_audit_update_record             
;
2019-10-14 deposited with the CCDC.	2021-02-08 downloaded from the CCDC.
;

_vrf_PLAT155_lv737               
;
PROBLEM: The Triclinic Unitcell is NOT Reduced ..........     Please Do ! 
          
RESPONSE:  The cell setting used is the same as that for the isomorphous
[ZnCl4]2- structure
;


_audit_creation_date             2015-03-24T08:23:15-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_sum            'C16 H18 Cd Cl4 N4'
_chemical_formula_moiety         '2(C8 H9 N2), Cd Cl4'
_chemical_formula_weight         520.54

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.4184(3)
_cell_length_b                   10.7646(4)
_cell_length_c                   10.7332(4)
_cell_angle_alpha                99.055(3)
_cell_angle_beta                 110.834(4)
_cell_angle_gamma                90.861(3)
_cell_volume                     1001.39(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    13232
_cell_measurement_theta_min      2.464
_cell_measurement_theta_max      37.963

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.065
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_F_000             516
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 -1 1 0.0544
-1 1 -1 0.0742
-1 0 0 0.0399
1 0 0 0.0254
0 0 -1 0.1259
0 0 1 0.1148
0 -1 -2 0.1406
-1 3 0 0.1131
0 1 -1 0.0805
0 -1 1 0.0801


#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.631
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies
     
;
_exptl_absorpt_correction_T_min  0.709
_exptl_absorpt_correction_T_max  0.905

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4738
_diffrn_orient_matrix_ub_11      0.0764653
_diffrn_orient_matrix_ub_12      0.022543
_diffrn_orient_matrix_ub_13      -0.0167352
_diffrn_orient_matrix_ub_21      0.0183692
_diffrn_orient_matrix_ub_22      -0.0373523
_diffrn_orient_matrix_ub_23      0.0423687
_diffrn_orient_matrix_ub_31      -0.0187161
_diffrn_orient_matrix_ub_32      -0.0570438
_diffrn_orient_matrix_ub_33      -0.0490341
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Gemini diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_av_unetI/netI     0.0636
_diffrn_reflns_number            38485
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.921
_diffrn_reflns_theta_max         38.882
_diffrn_reflns_theta_full        37
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 0.967
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 0.967
_reflns_number_total             11183
_reflns_number_gt                8856
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 
;


_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_molecular_graphics    'Diamond (Brandenburg, K., (1999)'
_computing_publication_material  'WinGX Farrugia, L. J. (1999)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'


#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#


_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0327P)²+0.4311P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         11183
_refine_ls_number_parameters     228
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.056
_refine_ls_R_factor_gt           0.0375
_refine_ls_wR_factor_ref         0.0847
_refine_ls_wR_factor_gt          0.0761
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.603
_refine_diff_density_min         -0.796
_refine_diff_density_rms         0.13

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
C11 C 0.76622(19) 0.54201(16) 0.26553(17) 0.0174(3) Uani 1 d . .
H11 H 0.8396 0.5013 0.329 0.021 Uiso 1 calc . .
N12 N 0.79224(16) 0.60956(13) 0.17983(14) 0.0157(2) Uani 1 d . .
C12 C 0.9399(2) 0.63013(17) 0.16750(19) 0.0203(3) Uani 1 d . .
H12A H 1.005 0.6918 0.245 0.03 Uiso 1 calc . .
H12B H 0.9254 0.6621 0.0836 0.03 Uiso 1 calc . .
H12C H 0.9883 0.5503 0.1656 0.03 Uiso 1 calc . .
C13 C 0.66083(19) 0.65371(16) 0.10316(17) 0.0172(3) Uani 1 d . .
H13 H 0.6498 0.7036 0.0352 0.021 Uiso 1 calc . .
N13A N 0.54821(18) 0.61309(15) 0.14215(16) 0.0210(3) Uani 1 d . .
C14 C 0.38986(19) 0.62848(17) 0.09942(19) 0.0205(3) Uani 1 d . .
H14 H 0.3422 0.6736 0.0281 0.025 Uiso 1 calc . .
C15 C 0.3085(2) 0.57760(19) 0.1623(2) 0.0269(4) Uani 1 d . .
H15 H 0.2023 0.5878 0.1354 0.032 Uiso 1 calc . .
C16 C 0.3791(3) 0.5086(2) 0.2688(2) 0.0298(4) Uani 1 d . .
H16 H 0.3194 0.4749 0.3125 0.036 Uiso 1 calc . .
C17 C 0.5294(3) 0.49034(18) 0.3085(2) 0.0262(4) Uani 1 d . .
H17 H 0.5753 0.443 0.3782 0.031 Uiso 1 calc . .
C17A C 0.61561(17) 0.54288(14) 0.24444(16) 0.0134(2) Uani 1 d . .
C21 C 0.2955(2) 0.89798(16) 0.32202(18) 0.0199(3) Uani 1 d . .
H21 H 0.1995 0.8991 0.3326 0.024 Uiso 1 calc . .
N22 N 0.32934(18) 0.93541(14) 0.21925(15) 0.0204(3) Uani 1 d . .
C22 C 0.2219(3) 0.98734(19) 0.1066(2) 0.0286(4) Uani 1 d . .
H22A H 0.2759 1.0148 0.0515 0.043 Uiso 1 calc . .
H22B H 0.1773 1.0596 0.1425 0.043 Uiso 1 calc . .
H22C H 0.1408 0.9223 0.0505 0.043 Uiso 1 calc . .
C23 C 0.4752(2) 0.92044(16) 0.23620(18) 0.0206(3) Uani 1 d . .
H23 H 0.5252 0.9396 0.178 0.025 Uiso 1 calc . .
N23A N 0.53822(18) 0.87322(14) 0.35096(15) 0.0183(3) Uani 1 d . .
C24 C 0.6874(2) 0.84046(17) 0.4133(2) 0.0231(3) Uani 1 d . .
H24 H 0.7624 0.8506 0.3748 0.028 Uiso 1 calc . .
C25 C 0.7214(2) 0.79418(18) 0.5291(2) 0.0265(4) Uani 1 d . .
H25 H 0.8213 0.7695 0.5715 0.032 Uiso 1 calc . .
C26 C 0.6109(2) 0.78148(18) 0.5893(2) 0.0262(4) Uani 1 d . .
H26 H 0.6391 0.7509 0.6725 0.031 Uiso 1 calc . .
C27 C 0.4665(2) 0.81214(17) 0.53039(19) 0.0221(3) Uani 1 d . .
H27 H 0.3931 0.8028 0.5709 0.027 Uiso 1 calc . .
C27A C 0.42687(19) 0.85861(15) 0.40676(17) 0.0160(3) Uani 1 d . .
Cd1 Cd 0.84545(2) 0.18481(2) 0.25021(2) 0.01721(3) Uani 1 d . .
Cl1 Cl 0.56762(5) 0.18422(4) 0.12962(4) 0.02239(8) Uani 1 d . .
Cl2 Cl 0.99271(5) 0.29617(4) 0.14545(5) 0.02253(8) Uani 1 d . .
Cl3 Cl 0.90081(6) -0.03728(4) 0.23755(5) 0.02619(9) Uani 1 d . .
Cl4 Cl 0.89527(5) 0.30911(5) 0.47667(4) 0.02564(9) Uani 1 d . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C11 N12 1.342(2) . ?
C11 C17A 1.355(2) . ?
C11 H11 0.95 . ?
N12 C13 1.361(2) . ?
N12 C12 1.460(2) . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C13 N13A 1.360(2) . ?
C13 H13 0.95 . ?
N13A C17A 1.400(2) . ?
N13A C14 1.417(2) . ?
C14 C15 1.347(3) . ?
C14 H14 0.95 . ?
C15 C16 1.429(3) . ?
C15 H15 0.95 . ?
C16 C17 1.353(3) . ?
C16 H16 0.95 . ?
C17 C17A 1.399(2) . ?
C17 H17 0.95 . ?
C21 N22 1.367(2) . ?
C21 C27A 1.369(2) . ?
C21 H21 0.95 . ?
N22 C23 1.335(2) . ?
N22 C22 1.469(2) . ?
C22 H22A 0.98 . ?
C22 H22B 0.98 . ?
C22 H22C 0.98 . ?
C23 N23A 1.347(2) . ?
C23 H23 0.95 . ?
N23A C27A 1.398(2) . ?
N23A C24 1.402(2) . ?
C24 C25 1.347(3) . ?
C24 H24 0.95 . ?
C25 C26 1.422(3) . ?
C25 H25 0.95 . ?
C26 C27 1.351(3) . ?
C26 H26 0.95 . ?
C27 C27A 1.419(2) . ?
C27 H27 0.95 . ?
Cd1 Cl3 2.4477(5) . ?
Cd1 Cl4 2.4626(5) . ?
Cd1 Cl2 2.4716(5) . ?
Cd1 Cl1 2.4719(5) . ?

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
N12 C11 C17A 107.09(15) . . ?
N12 C11 H11 126.5 . . ?
C17A C11 H11 126.5 . . ?
C11 N12 C13 110.55(14) . . ?
C11 N12 C12 124.92(15) . . ?
C13 N12 C12 124.51(15) . . ?
N12 C12 H12A 109.5 . . ?
N12 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N12 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N12 C13 N13A 107.16(15) . . ?
N12 C13 H13 126.4 . . ?
N13A C13 H13 126.4 . . ?
C13 N13A C17A 106.90(14) . . ?
C13 N13A C14 133.11(16) . . ?
C17A N13A C14 119.99(15) . . ?
C15 C14 N13A 118.43(18) . . ?
C15 C14 H14 120.8 . . ?
N13A C14 H14 120.8 . . ?
C14 C15 C16 121.10(18) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C17 C16 C15 121.23(18) . . ?
C17 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C16 C17 C17A 118.36(19) . . ?
C16 C17 H17 120.8 . . ?
C17A C17 H17 120.8 . . ?
C11 C17A C17 130.81(17) . . ?
C11 C17A N13A 108.30(14) . . ?
C17 C17A N13A 120.86(15) . . ?
N22 C21 C27A 106.56(15) . . ?
N22 C21 H21 126.7 . . ?
C27A C21 H21 126.7 . . ?
C23 N22 C21 110.65(15) . . ?
C23 N22 C22 124.25(17) . . ?
C21 N22 C22 125.08(17) . . ?
N22 C22 H22A 109.5 . . ?
N22 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N22 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N22 C23 N23A 107.45(16) . . ?
N22 C23 H23 126.3 . . ?
N23A C23 H23 126.3 . . ?
C23 N23A C27A 108.56(15) . . ?
C23 N23A C24 130.11(16) . . ?
C27A N23A C24 121.33(16) . . ?
C25 C24 N23A 118.28(17) . . ?
C25 C24 H24 120.9 . . ?
N23A C24 H24 120.9 . . ?
C24 C25 C26 121.28(18) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 H25 119.4 . . ?
C27 C26 C25 121.22(18) . . ?
C27 C26 H26 119.4 . . ?
C25 C26 H26 119.4 . . ?
C26 C27 C27A 118.58(17) . . ?
C26 C27 H27 120.7 . . ?
C27A C27 H27 120.7 . . ?
C21 C27A N23A 106.77(15) . . ?
C21 C27A C27 133.93(16) . . ?
N23A C27A C27 119.29(16) . . ?
Cl3 Cd1 Cl4 117.283(18) . . ?
Cl3 Cd1 Cl2 110.021(16) . . ?
Cl4 Cd1 Cl2 106.686(17) . . ?
Cl3 Cd1 Cl1 105.736(17) . . ?
Cl4 Cd1 Cl1 105.012(17) . . ?
Cl2 Cd1 Cl1 112.106(16) . . ?

