Synthesis, structural characterization, and luminescence properties of mono- and di-nuclear platinum(II) complexes containing 2-(2-pyridyl)-benzimidazole
Niknam, Fatemeh; Hamidizadeh, Peyman; Nabavizadeh, S. Masoud; Niroomand Hosseini, Fatemeh; Hoseini, S. Jafar; Ford, Peter C.; Abu-Omar, Mahdi M.; Inorganica Chimica Acta 498 (2019) 119133–; doi:10.1016/j.ica.2019.119133

data_1565768
_publ_section_title
;
 Synthesis, structural characterization, and luminescence properties of
 mono- and di-nuclear platinum(II) complexes containing
 2-(2-pyridyl)-benzimidazole
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119133
_journal_paper_doi               10.1016/j.ica.2019.119133
_journal_volume                  498
_journal_year                    2019
_chemical_formula_sum            'C16 H18 Cl3 N3 O Pt S'
_chemical_formula_weight         601.83
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 98.994(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.739(12)
_cell_length_b                   9.095(3)
_cell_length_c                   15.149(5)
_cell_measurement_reflns_used    1093
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.8
_cell_measurement_theta_min      2.65
_cell_volume                     3911(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker Kappa Apex II'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0604
_diffrn_reflns_av_unetI/netI     0.0922
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8746
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.251
_diffrn_reflns_theta_min         1.435
_exptl_absorpt_coefficient_mu    7.702
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.5397
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.044
_exptl_crystal_description       block
_exptl_crystal_F_000             2304
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.633
_refine_diff_density_min         -1.576
_refine_diff_density_rms         0.249
_refine_ls_extinction_coef       0.00012(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   0.845
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     224
_refine_ls_number_reflns         4282
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.845
_refine_ls_R_factor_all          0.0771
_refine_ls_R_factor_gt           0.0458
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0800P)^2^+0.2000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1078
_refine_ls_wR_factor_ref         0.1281
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3013
_reflns_number_total             4282
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ICA-2019-498-118133.cif
_cod_data_source_block           08232018_2_0m
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1565768
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.308
_shelx_estimated_absorpt_t_max   0.513
_shelx_res_checksum              98305