μ-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene-κC]silver(I)} chloride 1,2-dichloroethane hemisolvate
Malek, Kotiba; Arumugam, Kuppuswamy; IUCrData 9 (2024) x240861–; doi:10.1107/S2414314624008617

data_1572564
_publ_section_title
;
 \m-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene-\kC]silver(I)}
 chloride 1,2-dichloroethane hemisolvate
;
_journal_coeditor_code           ZL4077
_journal_issue                   9
_journal_name_full               IUCrData
_journal_page_first              x240861
_journal_paper_doi               10.1107/S2414314624008617
_journal_volume                  9
_journal_year                    2024
_chemical_formula_iupac          '[Ag2 (C19 H20 N2)4] Cl, 0.5C2 H4 Cl2'
_chemical_formula_moiety         'C76 H80 Ag2 Cl N8 +, Cl -, 0.5(C2 H4 Cl2)'
_chemical_formula_sum            'C77 H82 Ag2 Cl3 N8'
_chemical_formula_weight         1441.59
_chemical_name_systematic
'\m-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene\k<i>C</i>]silver(I)} chloride 1,2-dichloroethane hemisolvate'
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_cell_angle_alpha                90
_cell_angle_beta                 93.0550(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.7605(2)
_cell_length_b                   22.4142(4)
_cell_length_c                   25.0233(4)
_cell_measurement_reflns_used    9034
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      3.11
_cell_measurement_theta_min      2.47
_cell_volume                     7146.9(2)
_computing_cell_refinement
;
CrysAlisPro (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlisPro (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlisPro (Rigaku OD, 2015)
;
_computing_molecular_graphics
;
Mercury 4.0 (Macrae <i>et al.</i>,  2020)
;
_computing_publication_material
;
Olex2 1.5 (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
<i>SHELXL2019/1</i> (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS (Sheldrick, 2008)
;
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_unetI/netI     0.0419
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            54034
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.217
_diffrn_reflns_theta_min         3.468
_diffrn_standards_decay_%        0.01
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.792
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5448
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
(CrysAlisPro; Rigaku OD, 2015)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_description       block
_exptl_crystal_F_000             2980
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.119
_refine_diff_density_min         -0.649
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     897
_refine_ls_number_reflns         14039
_refine_ls_number_restraints     281
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0365
_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^)+(0.0555P)^2^+3.6026P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0903
_refine_ls_wR_factor_ref         0.0929
_reflns_number_gt                13203
_reflns_number_total             14039
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            zl4077.cif
_cod_data_source_block           I
_cod_database_code               1572564
_shelx_estimated_absorpt_t_min   0.325
_shelx_estimated_absorpt_t_max   0.390
_shelx_hkl_checksum              1243
_shelx_res_checksum              11342