The crystal structure of poly[μ2-chlorido-(μ2-1,2-bis(4-pyridyl)ethane-κ 2 N:N′silver(I)], C12H12AgClN2
Fang, Jianghua; Hu, Minjie; Li, Ying; Xu, Weihong; Zeitschrift für Kristallographie - New Crystal Structures 236 (2021) 1287–1289; doi:10.1515/ncrs-2021-0307

data_8104587
_publ_section_title
;
 The crystal structure of
 poly[\m2-chlorido-(\m2-1,2-bis(4-pyridyl)ethane-\k 2
 N:N&#x2032;silver(I)], C12H12AgClN2
;
_journal_issue                   6
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              1287
_journal_page_last               1289
_journal_paper_doi               10.1515/ncrs-2021-0307
_journal_volume                  236
_journal_year                    2021
_chemical_formula_moiety         'C12 H12 Ag Cl N2'
_chemical_formula_sum            'C12 H12 Ag Cl N2'
_chemical_formula_weight         327.56
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0071(18)
_cell_length_b                   9.4931(19)
_cell_length_c                   13.642(3)
_cell_measurement_reflns_used    11057
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1166.5(4)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998) [1]'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998) [1]'
_computing_data_reduction        'CrystalStructure (Rigaku, 1998) [1]'
_computing_molecular_graphics    'SHELXL-2016/6 (Sheldrick, 2016) [2,3]'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016) [2,3]'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016) [2,3]'
_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016) [2,3]'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0186
_diffrn_reflns_av_unetI/netI     0.0137
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9156
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         3.118
_exptl_absorpt_coefficient_mu    1.928
_exptl_absorpt_correction_T_max  0.835
_exptl_absorpt_correction_T_min  0.768
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.865
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.52
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.261
_refine_diff_density_min         -0.446
_refine_diff_density_rms         0.050
_refine_ls_abs_structure_details
;
 Flack x determined using 826 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.035(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2052
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0163
_refine_ls_R_factor_gt           0.0160
_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^)+(0.0146P)^2^+0.5376P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0369
_refine_ls_wR_factor_ref         0.0370
_reflns_Friedel_coverage         0.709
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                2020
_reflns_number_total             2052
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            suppl_j_ncrs-2021-0307_suppl.cif
_cod_data_source_block           shx97
_cod_database_code               8104587
_shelx_res_checksum              4346
_shelx_hkl_checksum              33300