Chloridotetrakis(imidazole)copper(II) chloride. Corrigendum
Li, Ting Bin; Hu, Ya Li; Li, Ji Kun; He, Guo Fang; Acta Crystallographica Section E 77 (2021) 450–451; doi:10.1107/S2056989021002267

data_2243796
_publ_section_title
;
 Chloridotetrakis(imidazole)copper(II) chloride. Corrigendum
;
_journal_coeditor_code           ME6126
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              450
_journal_page_last               451
_journal_paper_doi               10.1107/S2056989021002267
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          '[Cu Cl (C3 H4 N2)4] Cl'
_chemical_formula_moiety         'C12 H16 Cl Cu N8 +, Cl -'
_chemical_formula_sum            'C12 H16 Cl2 Cu N8'
_chemical_formula_weight         406.77
_chemical_name_systematic
;
Chloridotetrakis(imidazole)copper(II) chloride
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 90.0420(10)
_cell_angle_gamma                90
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_cell_length_b                   13.3199(4)
_cell_length_c                   13.9190(4)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.7
_cell_volume                     1643.79(9)
_computing_cell_refinement
;
SAINT (Siemens, 1996)
;
_computing_data_collection
;
SMART (Siemens, 1996)
;
_computing_data_reduction
;
SAINT (Siemens, 1996)
;
_computing_publication_material
;
SHELXL2018 (Sheldrick, 2015b)
;
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;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9.1
_diffrn_measured_fraction_theta_full 0.865
_diffrn_measured_fraction_theta_max 0.879
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_measurement_method       '\f and \w scans at fixed \c = 55\%'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         1.463
_diffrn_source                   'fine-focus sealed-tube'
_exptl_absorpt_coefficient_mu    1.665
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_correction_T_min  0.788
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Krause <i>et al.</i>,  2015)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_description       block
_exptl_crystal_F_000             828
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.246
_refine_diff_density_min         -0.371
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         3317
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.942
_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0220P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0547
_refine_ls_wR_factor_ref         0.0567
_reflns_number_gt                2798
_reflns_number_total             3317
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            me6126sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2243796
_shelx_estimated_absorpt_t_min   0.788
_shelx_estimated_absorpt_t_max   0.851
_shelx_hkl_checksum              89514
_shelx_res_checksum              7236
_cod_database_fobs_code 2243796