Di-μ-chlorido-bis(chlorido{8-[2-(dimethylamino)ethylamino]quinoline}cadmium) ethanol monosolvate
Al-Sudani, Abdul-Razak H.; Abdulridha, Myasim Qasim; Kariuki, Benson M.; IUCrData 6 (2021) x210150–; doi:10.1107/S2414314621001504

data_1560437
_publ_section_title
;
 Di-\m-chlorido-bis(chlorido{8-[2-(dimethylamino)ethylamino]quinoline}cadmium)
 ethanol monosolvate
;
_journal_coeditor_code           HB4375
_journal_issue                   2
_journal_name_full               IUCrData
_journal_page_first              x210150
_journal_paper_doi               10.1107/S2414314621001504
_journal_volume                  6
_journal_year                    2021
_chemical_formula_iupac          '[Cd2 Cl4 (C13 H17 N3)2], C2 H6 O'
_chemical_formula_moiety         'C26 H34 Cd2 Cl4 N6, C2 H6 O'
_chemical_formula_sum            'C28 H40 Cd2 Cl4 N6 O'
_chemical_formula_weight         843.26
_chemical_name_systematic
;
Di-\m-chlorido-bis(chlorido{8-[2-(dimethylamino)ethylamino]quinoline}cadmium)
ethanol monosolvate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_cell_angle_alpha                90
_cell_angle_beta                 95.292(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.9747(6)
_cell_length_b                   15.6483(7)
_cell_length_c                   17.8804(8)
_cell_measurement_reflns_used    7578
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.1930
_cell_measurement_theta_min      3.6950
_cell_volume                     3336.2(3)
_computing_cell_refinement
;
CrysAlisPro (Rigaku OD, 2019)
;
_computing_data_collection
;
CrysAlisPro (Rigaku OD, 2019)
;
_computing_data_reduction
;
CrysAlisPro (Rigaku OD, 2019)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2020)
;
_computing_publication_material
;
Wingx (Farrugia, 2012)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS (Sheldrick, 2008)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.875
_diffrn_measurement_device_type
'Rigaku Oxford Diffraction SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            29581
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.857
_diffrn_reflns_theta_min         1.708
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.627
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.897
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
(CrysAlisPro (Rigaku OD, 2019)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_description       block
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.164
_exptl_crystal_size_mid          0.127
_exptl_crystal_size_min          0.099
_refine_diff_density_max         0.578
_refine_diff_density_min         -0.863
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         8400
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0667
_refine_ls_R_factor_gt           0.0361
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0253P)^2^+3.3741P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0714
_refine_ls_wR_factor_ref         0.0861
_reflns_number_gt                5798
_reflns_number_total             8400
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hb4375sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1560437
_shelx_estimated_absorpt_t_min   0.776
_shelx_estimated_absorpt_t_max   0.856
_shelx_hkl_checksum              53085
_shelx_res_checksum              25897
_cod_database_fobs_code 1560437