# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_cyl20200107-1

_database_code_depnum_ccdc_archive 'CCDC 2011052'
loop_
_audit_author_name
_audit_author_address
'Qi Z.'
;Shanxi Normal University
China
;
_audit_update_record             
;
2020-11-09 deposited with the CCDC.	2020-11-25 downloaded from the CCDC.
;
_audit_creation_date             2020-11-09
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
loop_
_audit_author_email
qizk@sxnu.edu.cn
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '4(C7 H15 Cl N), Cd4 Cl12'
_chemical_formula_sum            'C28 H60 Cd4 Cl16 N4'
_chemical_formula_weight         1469.60
_chemical_melting_point          ?
_chemical_oxdiff_formula         C/H/O/N/Cd/Cl
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   6.7183(2)
_cell_length_b                   13.2093(4)
_cell_length_c                   14.8063(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.673(2)
_cell_angle_gamma                90.00
_cell_volume                     1251.96(6)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    3305
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      32.4740
_cell_measurement_theta_min      3.5290
_exptl_absorpt_coefficient_mu    2.556
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.949
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_unetI/netI     0.0299
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9126
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.40
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0710
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     39.00  86.00   1.00    2.50    --   23.81 178.00  30.00   47
  2  ω     36.00  76.00   1.00    2.50    --   23.81-123.00 -98.00   40
  3  ω    -44.00  43.00   1.00    2.50    --   23.81 -38.00  60.00   87
  4  ω    -38.00  51.00   1.00    2.50    --   23.81 -19.00 150.00   89
  5  ω     33.00  59.00   1.00    2.50    --   23.81  57.00-180.00   26
  6  ω     37.00  63.00   1.00    2.50    --   23.81 -99.00 120.00   26
  7  ω    -91.00   0.00   1.00    2.50    --  -24.13 -77.00 -30.00   91
  8  ω    -59.00 -29.00   1.00    2.50    --  -24.13 123.00 -18.00   30
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0039412000
_diffrn_orient_matrix_UB_12      0.0457348000
_diffrn_orient_matrix_UB_13      -0.0262418000
_diffrn_orient_matrix_UB_21      0.0058610000
_diffrn_orient_matrix_UB_22      0.0281455000
_diffrn_orient_matrix_UB_23      0.0426424000
_diffrn_orient_matrix_UB_31      0.1066481000
_diffrn_orient_matrix_UB_32      0.0001574000
_diffrn_orient_matrix_UB_33      0.0045489000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71000
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                1853
_reflns_number_total             2208
_reflns_odcompleteness_completeness 99.70
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 97-2 (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip  (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.484
_refine_diff_density_min         -1.516
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     121
_refine_ls_number_reflns         2208
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0293
_refine_ls_restrained_S_all      1.152
_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)+(0.0359P)²+0.3649P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0752
_refine_ls_wR_factor_ref         0.0804
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All N(H) groups
2.a Riding coordinates:
 N1(H1)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B),
 C7(H7A,H7B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl4 Cl 1.10650(16) 0.09042(8) 0.36331(8) 0.0322(3) Uani 1 1 d . . .
N1 N 0.6105(4) 0.2575(2) 0.2150(2) 0.0127(6) Uani 1 1 d . . .
H1 H 0.5523 0.2083 0.1721 0.015 Uiso 1 1 d R . .
C1 C 0.6987(5) 0.3375(3) 0.1650(3) 0.0156(8) Uani 1 1 d . . .
H1A H 0.7614 0.3926 0.2099 0.019 Uiso 1 1 calc R . .
H1B H 0.8100 0.3075 0.1424 0.019 Uiso 1 1 calc R . .
C2 C 0.5299(5) 0.3801(3) 0.0822(3) 0.0196(8) Uani 1 1 d . . .
H2A H 0.4704 0.3254 0.0363 0.024 Uiso 1 1 calc R . .
H2B H 0.5904 0.4318 0.0498 0.024 Uiso 1 1 calc R . .
C3 C 0.3570(6) 0.4279(3) 0.1152(3) 0.0218(9) Uani 1 1 d . . .
H3A H 0.2441 0.4531 0.0599 0.026 Uiso 1 1 calc R . .
H3B H 0.4135 0.4859 0.1576 0.026 Uiso 1 1 calc R . .
C4 C 0.2703(5) 0.3484(3) 0.1682(3) 0.0227(9) Uani 1 1 d . . .
H4A H 0.1643 0.3802 0.1931 0.027 Uiso 1 1 calc R . .
H4B H 0.2007 0.2943 0.1235 0.027 Uiso 1 1 calc R . .
C5 C 0.4401(5) 0.3023(3) 0.2493(3) 0.0183(8) Uani 1 1 d . . .
H5A H 0.5002 0.3550 0.2974 0.022 Uiso 1 1 calc R . .
H5B H 0.3793 0.2488 0.2797 0.022 Uiso 1 1 calc R . .
C6 C 0.7731(5) 0.2089(3) 0.2958(3) 0.0158(8) Uani 1 1 d . . .
H6A H 0.7037 0.1659 0.3321 0.019 Uiso 1 1 calc R . .
H6B H 0.8525 0.2622 0.3389 0.019 Uiso 1 1 calc R . .
C7 C 0.9234(5) 0.1446(3) 0.2617(3) 0.0235(9) Uani 1 1 d . . .
H7A H 0.9965 0.1869 0.2266 0.028 Uiso 1 1 calc R . .
H7B H 0.8463 0.0906 0.2189 0.028 Uiso 1 1 calc R . .
Cd1 Cd 1.5000 0.5000 0.5000 0.01257(13) Uani 1 2 d S . .
Cd2 Cd 1.0000 0.5000 0.5000 0.01227(13) Uani 1 2 d S . .
Cl1 Cl 1.34747(12) 0.44028(7) 0.63845(6) 0.0150(2) Uani 1 1 d . . .
Cl2 Cl 1.17017(12) 0.40751(7) 0.38900(6) 0.0173(2) Uani 1 1 d . . .
Cl3 Cl 0.75536(11) 0.34839(7) 0.51185(6) 0.0148(2) Uani 1 1 d . . .


_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
Cl4 C7 1.779(4) . ?
N1 H1 0.9099 . ?
N1 C1 1.511(4) . ?
N1 C5 1.507(4) . ?
N1 C6 1.498(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.504(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.527(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.527(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.511(5) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.518(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
Cd1 Cd2 3.3591 1_655 ?
Cd1 Cd2 3.3591 . ?
Cd1 Cl1 2.6740(9) 3_866 ?
Cd1 Cl1 2.6740(9) . ?
Cd1 Cl2 2.6254(8) . ?
Cd1 Cl2 2.6254(8) 3_866 ?
Cd1 Cl3 2.6080(9) 1_655 ?
Cd1 Cl3 2.6080(9) 3_766 ?
Cd2 Cd1 3.3592 1_455 ?
Cd2 Cl1 2.7145(8) . ?
Cd2 Cl1 2.7145(8) 3_766 ?
Cd2 Cl2 2.5771(9) . ?
Cd2 Cl2 2.5771(9) 3_766 ?
Cd2 Cl3 2.6302(9) . ?
Cd2 Cl3 2.6302(9) 3_766 ?
Cl3 Cd1 2.6080(9) 1_455 ?

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
C1 N1 H1 107.8 . . ?
C5 N1 H1 107.8 . . ?
C5 N1 C1 110.0(3) . . ?
C6 N1 H1 107.8 . . ?
C6 N1 C1 113.1(2) . . ?
C6 N1 C5 110.1(3) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
H1A C1 H1B 108.1 . . ?
C2 C1 N1 110.5(3) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 C3 110.7(3) . . ?
H2A C2 H2B 108.1 . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
C2 C3 H3A 109.9 . . ?
C2 C3 H3B 109.9 . . ?
C2 C3 C4 109.0(3) . . ?
H3A C3 H3B 108.3 . . ?
C4 C3 H3A 109.9 . . ?
C4 C3 H3B 109.9 . . ?
C3 C4 H4A 109.3 . . ?
C3 C4 H4B 109.3 . . ?
H4A C4 H4B 107.9 . . ?
C5 C4 C3 111.8(3) . . ?
C5 C4 H4A 109.3 . . ?
C5 C4 H4B 109.3 . . ?
N1 C5 C4 111.0(3) . . ?
N1 C5 H5A 109.4 . . ?
N1 C5 H5B 109.4 . . ?
C4 C5 H5A 109.4 . . ?
C4 C5 H5B 109.4 . . ?
H5A C5 H5B 108.0 . . ?
N1 C6 H6A 109.2 . . ?
N1 C6 H6B 109.2 . . ?
N1 C6 C7 111.8(3) . . ?
H6A C6 H6B 107.9 . . ?
C7 C6 H6A 109.2 . . ?
C7 C6 H6B 109.2 . . ?
Cl4 C7 H7A 110.2 . . ?
Cl4 C7 H7B 110.2 . . ?
C6 C7 Cl4 107.7(3) . . ?
C6 C7 H7A 110.2 . . ?
C6 C7 H7B 110.2 . . ?
H7A C7 H7B 108.5 . . ?
Cd2 Cd1 Cd2 180.0 1_655 . ?
Cl1 Cd1 Cd2 51.978(17) . . ?
Cl1 Cd1 Cd2 128.022(17) 3_866 . ?
Cl1 Cd1 Cd2 128.022(17) . 1_655 ?
Cl1 Cd1 Cd2 51.978(17) 3_866 1_655 ?
Cl1 Cd1 Cl1 180.0 . 3_866 ?
Cl2 Cd1 Cd2 130.842(19) . 1_655 ?
Cl2 Cd1 Cd2 49.158(19) 3_866 1_655 ?
Cl2 Cd1 Cd2 49.158(19) . . ?
Cl2 Cd1 Cd2 130.842(19) 3_866 . ?
Cl2 Cd1 Cl1 84.00(3) 3_866 3_866 ?
Cl2 Cd1 Cl1 96.00(3) . 3_866 ?
Cl2 Cd1 Cl1 84.00(3) . . ?
Cl2 Cd1 Cl1 96.00(3) 3_866 . ?
Cl2 Cd1 Cl2 180.0 3_866 . ?
Cl3 Cd1 Cd2 50.403(18) 3_766 . ?
Cl3 Cd1 Cd2 50.402(18) 1_655 1_655 ?
Cl3 Cd1 Cd2 129.597(18) 3_766 1_655 ?
Cl3 Cd1 Cd2 129.597(18) 1_655 . ?
Cl3 Cd1 Cl1 83.15(3) 3_766 . ?
Cl3 Cd1 Cl1 96.85(3) 1_655 . ?
Cl3 Cd1 Cl1 83.15(3) 1_655 3_866 ?
Cl3 Cd1 Cl1 96.85(3) 3_766 3_866 ?
Cl3 Cd1 Cl2 95.61(3) 3_766 3_866 ?
Cl3 Cd1 Cl2 95.61(3) 1_655 . ?
Cl3 Cd1 Cl2 84.39(3) 3_766 . ?
Cl3 Cd1 Cl2 84.39(3) 1_655 3_866 ?
Cl3 Cd1 Cl3 180.0 3_766 1_655 ?
Cd1 Cd2 Cd1 180.0 . 1_455 ?
Cl1 Cd2 Cd1 129.102(18) . 1_455 ?
Cl1 Cd2 Cd1 50.898(18) 3_766 1_455 ?
Cl1 Cd2 Cd1 50.898(18) . . ?
Cl1 Cd2 Cd1 129.102(18) 3_766 . ?
Cl1 Cd2 Cl1 180.00(4) 3_766 . ?
Cl2 Cd2 Cd1 129.584(18) . 1_455 ?
Cl2 Cd2 Cd1 50.416(18) 3_766 1_455 ?
Cl2 Cd2 Cd1 129.585(18) 3_766 . ?
Cl2 Cd2 Cd1 50.416(18) . . ?
Cl2 Cd2 Cl1 95.88(3) 3_766 . ?
Cl2 Cd2 Cl1 84.12(3) 3_766 3_766 ?
Cl2 Cd2 Cl1 95.88(3) . 3_766 ?
Cl2 Cd2 Cl1 84.12(3) . . ?
Cl2 Cd2 Cl2 179.999(1) 3_766 . ?
Cl2 Cd2 Cl3 84.91(3) . 3_766 ?
Cl2 Cd2 Cl3 84.91(3) 3_766 . ?
Cl2 Cd2 Cl3 95.09(3) . . ?
Cl2 Cd2 Cl3 95.09(3) 3_766 3_766 ?
Cl3 Cd2 Cd1 49.823(18) . 1_455 ?
Cl3 Cd2 Cd1 130.176(18) . . ?
Cl3 Cd2 Cd1 130.178(18) 3_766 1_455 ?
Cl3 Cd2 Cd1 49.823(18) 3_766 . ?
Cl3 Cd2 Cl1 98.04(3) . . ?
Cl3 Cd2 Cl1 98.04(3) 3_766 3_766 ?
Cl3 Cd2 Cl1 81.96(3) . 3_766 ?
Cl3 Cd2 Cl1 81.96(3) 3_766 . ?
Cl3 Cd2 Cl3 179.999(1) 3_766 . ?
Cd1 Cl1 Cd2 77.12(2) . . ?
Cd2 Cl2 Cd1 80.43(2) . . ?
Cd1 Cl3 Cd2 79.77(3) 1_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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 59.8(4) . . . . ?
N1 C6 C7 Cl4 -179.5(2) . . . . ?
C1 N1 C5 C4 56.8(4) . . . . ?
C1 N1 C6 C7 -68.2(4) . . . . ?
C1 C2 C3 C4 -57.2(4) . . . . ?
C2 C3 C4 C5 55.5(4) . . . . ?
C3 C4 C5 N1 -56.1(4) . . . . ?
C5 N1 C1 C2 -58.9(4) . . . . ?
C5 N1 C6 C7 168.3(3) . . . . ?
C6 N1 C1 C2 177.5(3) . . . . ?
C6 N1 C5 C4 -177.9(3) . . . . ?
Cd1 Cd2 Cl1 Cd1 180.0 1_455 . . . ?
Cd1 Cd2 Cl2 Cd1 180.0 1_455 . . . ?
Cd1 Cd2 Cl3 Cd1 180.0 . . . 1_455 ?
Cd2 Cd1 Cd2 Cd1 0.0 1_655 . . 1_455 ?
Cd2 Cd1 Cd2 Cl1 60.48(2) 1_655 . . . ?
Cd2 Cd1 Cd2 Cl1 -119.52(2) 1_655 . . 3_766 ?
Cd2 Cd1 Cd2 Cl2 120.44(3) 1_655 . . 3_766 ?
Cd2 Cd1 Cd2 Cl2 -59.56(3) 1_655 . . . ?
Cd2 Cd1 Cd2 Cl3 -2.75(2) 1_655 . . . ?
Cd2 Cd1 Cd2 Cl3 177.25(2) 1_655 . . 3_766 ?
Cd2 Cd1 Cl1 Cd2 180.0 1_655 . . . ?
Cd2 Cd1 Cl2 Cd2 180.0 1_655 . . . ?
Cl1 Cd1 Cd2 Cd1 119.52(2) 3_866 . . 1_455 ?
Cl1 Cd1 Cd2 Cd1 -60.48(2) . . . 1_455 ?
Cl1 Cd1 Cd2 Cl1 0.0 3_866 . . 3_766 ?
Cl1 Cd1 Cd2 Cl1 180.0 . . . 3_766 ?
Cl1 Cd1 Cd2 Cl1 180.0 3_866 . . . ?
Cl1 Cd1 Cd2 Cl2 -120.05(4) 3_866 . . 3_766 ?
Cl1 Cd1 Cd2 Cl2 59.96(4) 3_866 . . . ?
Cl1 Cd1 Cd2 Cl2 59.96(4) . . . 3_766 ?
Cl1 Cd1 Cd2 Cl2 -120.04(4) . . . . ?
Cl1 Cd1 Cd2 Cl3 116.77(3) 3_866 . . . ?
Cl1 Cd1 Cd2 Cl3 -63.23(3) 3_866 . . 3_766 ?
Cl1 Cd1 Cd2 Cl3 -63.23(3) . . . . ?
Cl1 Cd1 Cd2 Cl3 116.77(3) . . . 3_766 ?
Cl1 Cd1 Cl1 Cd2 -130(24) 3_866 . . . ?
Cl1 Cd1 Cl2 Cd2 -136.71(2) 3_866 . . . ?
Cl1 Cd1 Cl2 Cd2 43.29(2) . . . . ?
Cl1 Cd2 Cl1 Cd1 69(40) 3_766 . . . ?
Cl1 Cd2 Cl2 Cd1 137.52(2) 3_766 . . . ?
Cl1 Cd2 Cl2 Cd1 -42.48(2) . . . . ?
Cl1 Cd2 Cl3 Cd1 -44.41(2) 3_766 . . 1_455 ?
Cl1 Cd2 Cl3 Cd1 135.59(2) . . . 1_455 ?
Cl2 Cd1 Cd2 Cd1 59.56(3) . . . 1_455 ?
Cl2 Cd1 Cd2 Cd1 -120.44(3) 3_866 . . 1_455 ?
Cl2 Cd1 Cd2 Cl1 -59.96(4) 3_866 . . . ?
Cl2 Cd1 Cd2 Cl1 -59.96(4) . . . 3_766 ?
Cl2 Cd1 Cd2 Cl1 120.04(4) . . . . ?
Cl2 Cd1 Cd2 Cl1 120.05(4) 3_866 . . 3_766 ?
Cl2 Cd1 Cd2 Cl2 0.0 3_866 . . 3_766 ?
Cl2 Cd1 Cd2 Cl2 180.0 3_866 . . . ?
Cl2 Cd1 Cd2 Cl2 180.0 . . . 3_766 ?
Cl2 Cd1 Cd2 Cl3 56.81(4) . . . . ?
Cl2 Cd1 Cd2 Cl3 -123.19(4) 3_866 . . . ?
Cl2 Cd1 Cd2 Cl3 56.81(4) 3_866 . . 3_766 ?
Cl2 Cd1 Cd2 Cl3 -123.19(4) . . . 3_766 ?
Cl2 Cd1 Cl1 Cd2 -41.18(2) . . . . ?
Cl2 Cd1 Cl1 Cd2 138.82(2) 3_866 . . . ?
Cl2 Cd1 Cl2 Cd2 117(23) 3_866 . . . ?
Cl2 Cd2 Cl1 Cd1 -137.88(2) 3_766 . . . ?
Cl2 Cd2 Cl1 Cd1 42.12(2) . . . . ?
Cl2 Cd2 Cl2 Cd1 -99(22) 3_766 . . . ?
Cl2 Cd2 Cl3 Cd1 -139.65(2) . . . 1_455 ?
Cl2 Cd2 Cl3 Cd1 40.36(2) 3_766 . . 1_455 ?
Cl3 Cd1 Cd2 Cd1 2.75(2) 1_655 . . 1_455 ?
Cl3 Cd1 Cd2 Cd1 -177.25(2) 3_766 . . 1_455 ?
Cl3 Cd1 Cd2 Cl1 -116.77(3) 3_766 . . . ?
Cl3 Cd1 Cd2 Cl1 -116.77(3) 1_655 . . 3_766 ?
Cl3 Cd1 Cd2 Cl1 63.23(3) 3_766 . . 3_766 ?
Cl3 Cd1 Cd2 Cl1 63.23(3) 1_655 . . . ?
Cl3 Cd1 Cd2 Cl2 -56.81(4) 3_766 . . 3_766 ?
Cl3 Cd1 Cd2 Cl2 123.19(4) 1_655 . . 3_766 ?
Cl3 Cd1 Cd2 Cl2 -56.81(4) 1_655 . . . ?
Cl3 Cd1 Cd2 Cl2 123.19(4) 3_766 . . . ?
Cl3 Cd1 Cd2 Cl3 0.0 1_655 . . . ?
Cl3 Cd1 Cd2 Cl3 180.0 1_655 . . 3_766 ?
Cl3 Cd1 Cd2 Cl3 180.0 3_766 . . . ?
Cl3 Cd1 Cl1 Cd2 43.86(2) 3_766 . . . ?
Cl3 Cd1 Cl1 Cd2 -136.14(2) 1_655 . . . ?
Cl3 Cd1 Cl2 Cd2 -40.39(2) 3_766 . . . ?
Cl3 Cd1 Cl2 Cd2 139.61(2) 1_655 . . . ?
Cl3 Cd2 Cl1 Cd1 136.45(2) . . . . ?
Cl3 Cd2 Cl1 Cd1 -43.55(2) 3_766 . . . ?
Cl3 Cd2 Cl2 Cd1 39.94(2) 3_766 . . . ?
Cl3 Cd2 Cl2 Cd1 -140.06(2) . . . . ?
Cl3 Cd2 Cl3 Cd1 136(18) 3_766 . . 1_455 ?
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.218
_oxdiff_exptl_absorpt_empirical_full_min 0.897
