# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_mo_20230622zkmnbr1_0m
_database_code_depnum_ccdc_archive 'CCDC 2410479'
loop_
_audit_author_name
_audit_author_address
'Zhikai Qi'
;Shanxi Normal University
China
;
_audit_update_record             
;
2024-12-16 deposited with the CCDC.	2025-03-05 downloaded from the CCDC.
;
_audit_creation_date             2024-06-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cd2 Cl5 H2 O, C12 H16 N O'
_chemical_formula_sum            'C12 H18 Cd2 Cl5 N O2'
_chemical_formula_weight         610.32
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 '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                   7.5573(8)
_cell_length_b                   15.3477(16)
_cell_length_c                   16.6274(18)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.566(2)
_cell_angle_gamma                90.00
_cell_volume                     1922.4(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9902
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.277
_cell_measurement_theta_min      2.458
_exptl_absorpt_coefficient_mu    2.910
_exptl_absorpt_correction_T_max  0.8682
_exptl_absorpt_correction_T_min  0.7596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            'clear whiteish white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    2.109
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1176
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0546
_diffrn_reflns_av_unetI/netI     0.0411
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19329
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.70
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX2 microsource'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_special_details          ?
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                3152
_reflns_number_total             3923
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 97-2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.685
_refine_diff_density_min         -0.882
_refine_diff_density_rms         0.166
_refine_ls_extinction_coef       0.0058(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     201
_refine_ls_number_reflns         3923
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0597
_refine_ls_R_factor_gt           0.0474
_refine_ls_restrained_S_all      1.191
_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)+(0.0273P)²+19.5982P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1323
_refine_ls_wR_factor_ref         0.1386
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2.a Rotating group:
 O1(H1A,H1B)
2.b Ternary CH refined with riding coordinates:
 N1(H1)
2.c Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C3(H3A,H3B), C2(H2A,H2B), C6(H6A,H6B), C5(H5A,H5B)
2.d Aromatic/amide H refined with riding coordinates:
 C8(H8), C12(H12), C9(H9), C10(H10), C11(H11)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Cd2 Cd 0.38680(6) 0.55990(3) 0.59375(3) 0.02592(19) Uani 1 1 d . . .
Cd1 Cd 0.89105(6) 0.56275(4) 0.58762(3) 0.0273(2) Uani 1 1 d . . .
Cl1 Cl 0.8607(2) 0.56397(11) 0.42906(10) 0.0240(4) Uani 1 1 d . . .
Cl4 Cl 0.6377(2) 0.44247(11) 0.57320(10) 0.0244(4) Uani 1 1 d . . .
Cl5 Cl 0.3842(3) 0.53853(13) 0.74564(11) 0.0353(4) Uani 1 1 d . . .
Cl2 Cl 1.1393(2) 0.67533(12) 0.59005(13) 0.0341(4) Uani 1 1 d . . .
Cl3 Cl 0.6415(2) 0.67099(12) 0.60619(13) 0.0365(5) Uani 1 1 d . . .
O1 O 0.9577(8) 0.5305(4) 0.7233(3) 0.0417(14) Uani 1 1 d . . .
H1A H 0.9299 0.4775 0.7324 0.063 Uiso 1 1 d R . .
H1B H 1.0702 0.5322 0.7346 0.063 Uiso 1 1 d R . .
N1 N 0.4249(9) 0.2136(4) 0.6768(4) 0.0377(16) Uani 1 1 d . . .
H1 H 0.4624 0.1703 0.7115 0.045 Uiso 1 1 calc R . .
O2 O 0.8899(10) 0.3495(5) 0.7315(5) 0.080(3) Uani 1 1 d . . .
C7 C 0.2317(11) 0.1232(6) 0.5778(5) 0.041(2) Uani 1 1 d . . .
C1 C 0.7547(14) 0.3080(6) 0.7177(6) 0.057(3) Uani 1 1 d . . .
C4 C 0.4188(12) 0.2964(6) 0.7242(6) 0.046(2) Uani 1 1 d . . .
H4A H 0.3316 0.2911 0.7637 0.055 Uiso 1 1 calc R . .
H4B H 0.3832 0.3441 0.6882 0.055 Uiso 1 1 calc R . .
C8 C 0.2611(13) 0.0375(6) 0.5950(6) 0.049(2) Uani 1 1 d . . .
H8 H 0.2854 0.0203 0.6484 0.059 Uiso 1 1 calc R . .
C3 C 0.5556(11) 0.2216(6) 0.6150(6) 0.044(2) Uani 1 1 d . . .
H3A H 0.5200 0.2686 0.5782 0.052 Uiso 1 1 calc R . .
H3B H 0.5567 0.1681 0.5840 0.052 Uiso 1 1 calc R . .
C2 C 0.7418(12) 0.2396(6) 0.6536(7) 0.057(3) Uani 1 1 d . . .
H2A H 0.7897 0.1857 0.6768 0.069 Uiso 1 1 calc R . .
H2B H 0.8163 0.2568 0.6115 0.069 Uiso 1 1 calc R . .
C6 C 0.2351(11) 0.1913(6) 0.6424(6) 0.048(2) Uani 1 1 d . . .
H6A H 0.1674 0.1708 0.6858 0.058 Uiso 1 1 calc R . .
H6B H 0.1784 0.2437 0.6204 0.058 Uiso 1 1 calc R . .
C12 C 0.1884(15) 0.1474(9) 0.4991(7) 0.073(4) Uani 1 1 d . . .
H12 H 0.1614 0.2053 0.4869 0.088 Uiso 1 1 calc R . .
C5 C 0.6008(14) 0.3159(6) 0.7671(7) 0.058(3) Uani 1 1 d . . .
H5A H 0.5988 0.3748 0.7883 0.069 Uiso 1 1 calc R . .
H5B H 0.6193 0.2768 0.8128 0.069 Uiso 1 1 calc R . .
C9 C 0.2555(15) -0.0246(8) 0.5343(7) 0.067(3) Uani 1 1 d . . .
H9 H 0.2763 -0.0830 0.5466 0.081 Uiso 1 1 calc R . .
C10 C 0.2189(17) 0.0013(11) 0.4561(8) 0.081(4) Uani 1 1 d . . .
H10 H 0.2177 -0.0400 0.4150 0.097 Uiso 1 1 calc R . .
C11 C 0.1848(18) 0.0852(11) 0.4372(7) 0.086(4) Uani 1 1 d . . .
H11 H 0.1590 0.1018 0.3838 0.104 Uiso 1 1 calc R . .


_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
Cd2 Cl1 2.6727(17) 3_666 ?
Cd2 Cl4 2.6575(17) . ?
Cd2 Cl4 2.7676(18) 3_666 ?
Cd2 Cl5 2.5485(19) . ?
Cd2 Cl2 2.5733(18) 1_455 ?
Cd2 Cl3 2.5674(18) . ?
Cd1 Cl1 2.6283(17) . ?
Cd1 Cl1 2.7318(17) 3_766 ?
Cd1 Cl4 2.6568(17) . ?
Cd1 Cl2 2.5485(18) . ?
Cd1 Cl3 2.5502(19) . ?
Cd1 O1 2.325(6) . ?
Cl1 Cd2 2.6727(17) 3_666 ?
Cl1 Cd1 2.7319(17) 3_766 ?
Cl4 Cd2 2.7677(18) 3_666 ?
Cl2 Cd2 2.5733(18) 1_655 ?
O1 H1A 0.8561 . ?
O1 H1B 0.8561 . ?
N1 H1 0.9100 . ?
N1 C4 1.499(11) . ?
N1 C3 1.486(11) . ?
N1 C6 1.539(10) . ?
O2 C1 1.211(11) . ?
C7 C8 1.361(12) . ?
C7 C6 1.497(13) . ?
C7 C12 1.374(13) . ?
C1 C2 1.493(15) . ?
C1 C5 1.482(15) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.528(12) . ?
C8 H8 0.9300 . ?
C8 C9 1.387(14) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C2 1.525(12) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C12 H12 0.9300 . ?
C12 C11 1.402(19) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C9 H9 0.9300 . ?
C9 C10 1.366(18) . ?
C10 H10 0.9300 . ?
C10 C11 1.35(2) . ?
C11 H11 0.9300 . ?

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 Cd2 Cl4 81.85(5) 3_666 3_666 ?
Cl4 Cd2 Cl1 89.87(5) . 3_666 ?
Cl4 Cd2 Cl4 81.58(5) . 3_666 ?
Cl5 Cd2 Cl1 89.35(6) . 3_666 ?
Cl5 Cd2 Cl4 170.81(6) . 3_666 ?
Cl5 Cd2 Cl4 95.85(6) . . ?
Cl5 Cd2 Cl2 92.83(7) . 1_455 ?
Cl5 Cd2 Cl3 94.04(7) . . ?
Cl2 Cd2 Cl1 89.27(6) 1_455 3_666 ?
Cl2 Cd2 Cl4 89.69(6) 1_455 3_666 ?
Cl2 Cd2 Cl4 171.27(6) 1_455 . ?
Cl3 Cd2 Cl1 174.57(6) . 3_666 ?
Cl3 Cd2 Cl4 85.57(6) . . ?
Cl3 Cd2 Cl4 94.55(6) . 3_666 ?
Cl3 Cd2 Cl2 94.79(6) . 1_455 ?
Cl1 Cd1 Cl1 84.78(5) . 3_766 ?
Cl1 Cd1 Cl4 84.82(5) . . ?
Cl4 Cd1 Cl1 89.54(5) . 3_766 ?
Cl2 Cd1 Cl1 88.49(5) . 3_766 ?
Cl2 Cd1 Cl1 90.94(6) . . ?
Cl2 Cd1 Cl4 175.47(6) . . ?
Cl2 Cd1 Cl3 96.15(6) . . ?
Cl3 Cd1 Cl1 175.21(6) . 3_766 ?
Cl3 Cd1 Cl1 96.34(6) . . ?
Cl3 Cd1 Cl4 85.93(6) . . ?
O1 Cd1 Cl1 81.33(16) . 3_766 ?
O1 Cd1 Cl1 165.82(16) . . ?
O1 Cd1 Cl4 92.21(15) . . ?
O1 Cd1 Cl2 91.53(16) . . ?
O1 Cd1 Cl3 97.27(16) . . ?
Cd2 Cl1 Cd1 87.57(5) 3_666 3_766 ?
Cd1 Cl1 Cd2 98.13(6) . 3_666 ?
Cd1 Cl1 Cd1 95.22(5) . 3_766 ?
Cd2 Cl4 Cd2 98.42(5) . 3_666 ?
Cd1 Cl4 Cd2 95.15(5) . 3_666 ?
Cd1 Cl4 Cd2 91.93(5) . . ?
Cd1 Cl2 Cd2 93.81(6) . 1_655 ?
Cd1 Cl3 Cd2 96.58(6) . . ?
Cd1 O1 H1A 109.7 . . ?
Cd1 O1 H1B 109.9 . . ?
H1A O1 H1B 104.2 . . ?
C4 N1 H1 107.9 . . ?
C4 N1 C6 108.5(7) . . ?
C3 N1 H1 107.9 . . ?
C3 N1 C4 110.0(7) . . ?
C3 N1 C6 114.3(7) . . ?
C6 N1 H1 107.9 . . ?
C8 C7 C6 122.0(8) . . ?
C8 C7 C12 119.0(10) . . ?
C12 C7 C6 118.9(9) . . ?
O2 C1 C2 120.8(11) . . ?
O2 C1 C5 122.6(11) . . ?
C5 C1 C2 116.4(8) . . ?
N1 C4 H4A 109.6 . . ?
N1 C4 H4B 109.6 . . ?
N1 C4 C5 110.4(8) . . ?
H4A C4 H4B 108.1 . . ?
C5 C4 H4A 109.6 . . ?
C5 C4 H4B 109.6 . . ?
C7 C8 H8 119.5 . . ?
C7 C8 C9 121.1(10) . . ?
C9 C8 H8 119.5 . . ?
N1 C3 H3A 109.3 . . ?
N1 C3 H3B 109.3 . . ?
N1 C3 C2 111.5(8) . . ?
H3A C3 H3B 108.0 . . ?
C2 C3 H3A 109.3 . . ?
C2 C3 H3B 109.3 . . ?
C1 C2 C3 115.7(8) . . ?
C1 C2 H2A 108.4 . . ?
C1 C2 H2B 108.4 . . ?
C3 C2 H2A 108.4 . . ?
C3 C2 H2B 108.4 . . ?
H2A C2 H2B 107.4 . . ?
N1 C6 H6A 109.1 . . ?
N1 C6 H6B 109.1 . . ?
C7 C6 N1 112.6(7) . . ?
C7 C6 H6A 109.1 . . ?
C7 C6 H6B 109.1 . . ?
H6A C6 H6B 107.8 . . ?
C7 C12 H12 119.9 . . ?
C7 C12 C11 120.3(12) . . ?
C11 C12 H12 119.9 . . ?
C1 C5 C4 116.2(9) . . ?
C1 C5 H5A 108.2 . . ?
C1 C5 H5B 108.2 . . ?
C4 C5 H5A 108.2 . . ?
C4 C5 H5B 108.2 . . ?
H5A C5 H5B 107.4 . . ?
C8 C9 H9 120.5 . . ?
C10 C9 C8 119.0(12) . . ?
C10 C9 H9 120.5 . . ?
C9 C10 H10 119.3 . . ?
C11 C10 C9 121.3(13) . . ?
C11 C10 H10 119.3 . . ?
C12 C11 H11 120.4 . . ?
C10 C11 C12 119.2(11) . . ?
C10 C11 H11 120.4 . . ?

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
O1 H1A O2 0.86 1.99 2.830(10) 167.5 .

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
Cl1 Cd2 Cl4 Cd2 81.78(5) 3_666 . . 3_666 ?
Cl1 Cd2 Cl4 Cd1 177.27(5) 3_666 . . . ?
Cl1 Cd2 Cl3 Cd1 -33.1(7) 3_666 . . . ?
Cl1 Cd1 Cl1 Cd2 88.29(6) 3_766 . . 3_666 ?
Cl1 Cd1 Cl1 Cd1 0.000(1) 3_766 . . 3_766 ?
Cl1 Cd1 Cl4 Cd2 -83.14(5) 3_766 . . 3_666 ?
Cl1 Cd1 Cl4 Cd2 178.22(5) 3_766 . . . ?
Cl1 Cd1 Cl4 Cd2 1.65(5) . . . 3_666 ?
Cl1 Cd1 Cl4 Cd2 -96.98(5) . . . . ?
Cl1 Cd1 Cl2 Cd2 -91.90(6) . . . 1_655 ?
Cl1 Cd1 Cl2 Cd2 -7.15(6) 3_766 . . 1_655 ?
Cl1 Cd1 Cl3 Cd2 84.55(7) . . . . ?
Cl1 Cd1 Cl3 Cd2 -18.7(8) 3_766 . . . ?
Cl4 Cd2 Cl4 Cd2 0.0 3_666 . . 3_666 ?
Cl4 Cd2 Cl4 Cd1 95.50(6) 3_666 . . . ?
Cl4 Cd2 Cl3 Cd1 -0.23(7) . . . . ?
Cl4 Cd2 Cl3 Cd1 -81.40(7) 3_666 . . . ?
Cl4 Cd1 Cl1 Cd2 -1.72(5) . . . 3_666 ?
Cl4 Cd1 Cl1 Cd1 -90.01(5) . . . 3_766 ?
Cl4 Cd1 Cl2 Cd2 -71.4(7) . . . 1_655 ?
Cl4 Cd1 Cl3 Cd2 0.23(7) . . . . ?
Cl5 Cd2 Cl4 Cd2 171.11(6) . . . 3_666 ?
Cl5 Cd2 Cl4 Cd1 -93.40(6) . . . . ?
Cl5 Cd2 Cl3 Cd1 95.34(7) . . . . ?
Cl2 Cd2 Cl4 Cd2 -2.6(4) 1_455 . . 3_666 ?
Cl2 Cd2 Cl4 Cd1 92.9(4) 1_455 . . . ?
Cl2 Cd2 Cl3 Cd1 -171.47(7) 1_455 . . . ?
Cl2 Cd1 Cl1 Cd2 176.68(6) . . . 3_666 ?
Cl2 Cd1 Cl1 Cd1 88.39(6) . . . 3_766 ?
Cl2 Cd1 Cl4 Cd2 -117.6(7) . . . . ?
Cl2 Cd1 Cl4 Cd2 -19.0(7) . . . 3_666 ?
Cl2 Cd1 Cl3 Cd2 176.18(7) . . . . ?
Cl3 Cd2 Cl4 Cd2 -95.28(7) . . . 3_666 ?
Cl3 Cd2 Cl4 Cd1 0.22(6) . . . . ?
Cl3 Cd1 Cl1 Cd2 -87.03(6) . . . 3_666 ?
Cl3 Cd1 Cl1 Cd1 -175.32(6) . . . 3_766 ?
Cl3 Cd1 Cl4 Cd2 98.41(6) . . . 3_666 ?
Cl3 Cd1 Cl4 Cd2 -0.22(6) . . . . ?
Cl3 Cd1 Cl2 Cd2 171.62(7) . . . 1_655 ?
O1 Cd1 Cl1 Cd2 76.7(6) . . . 3_666 ?
O1 Cd1 Cl1 Cd1 -11.6(6) . . . 3_766 ?
O1 Cd1 Cl4 Cd2 96.92(16) . . . . ?
O1 Cd1 Cl4 Cd2 -164.45(16) . . . 3_666 ?
O1 Cd1 Cl2 Cd2 74.14(16) . . . 1_655 ?
O1 Cd1 Cl3 Cd2 -91.48(16) . . . . ?
N1 C4 C5 C1 47.0(11) . . . . ?
N1 C3 C2 C1 -45.8(11) . . . . ?
O2 C1 C2 C3 -153.1(9) . . . . ?
O2 C1 C5 C4 152.3(9) . . . . ?
C7 C8 C9 C10 -0.3(17) . . . . ?
C7 C12 C11 C10 2.0(19) . . . . ?
C4 N1 C3 C2 60.2(9) . . . . ?
C4 N1 C6 C7 165.6(7) . . . . ?
C8 C7 C6 N1 75.3(11) . . . . ?
C8 C7 C12 C11 -3.6(16) . . . . ?
C8 C9 C10 C11 -1(2) . . . . ?
C3 N1 C4 C5 -60.4(9) . . . . ?
C3 N1 C6 C7 42.3(10) . . . . ?
C2 C1 C5 C4 -33.2(12) . . . . ?
C6 N1 C4 C5 173.9(8) . . . . ?
C6 N1 C3 C2 -177.4(7) . . . . ?
C6 C7 C8 C9 179.3(9) . . . . ?
C6 C7 C12 C11 179.7(10) . . . . ?
C12 C7 C8 C9 2.8(15) . . . . ?
C12 C7 C6 N1 -108.2(10) . . . . ?
C5 C1 C2 C3 32.3(12) . . . . ?
C9 C10 C11 C12 1(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
