Non-symmetrically substituted N-heterocyclic carbene-Ag(I) complexes of benzimidazol-2-ylidenes: Synthesis, crystal structures, anticancer activity and transmetallation studies
Rosenani A. Haque; Mohammed Z. Ghdhayeb; Srinivasa Budagumpi; Abbas Washeel Salman; Mohamed B. Khadeer Ahamed; Amin Malik Shah Abdul Majid; Inorganica Chimica Acta 394 (2013) 519–525; doi:10.1016/j.ica.2012.09.013

data_1512782
_publ_section_title
;
 Non-symmetrically substituted N-heterocyclic carbene-Ag(I) complexes of
 benzimidazol-2-ylidenes: Synthesis, crystal structures, anticancer
 activity and transmetallation studies
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              519
_journal_page_last               525
_journal_paper_doi               10.1016/j.ica.2012.09.013
_journal_volume                  394
_journal_year                    2013
_chemical_formula_sum            'C37.42 H34.27 Ag Br0 N5.32 O1.93'
_chemical_formula_weight         697.19
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                108.4830(10)
_cell_angle_beta                 91.926(2)
_cell_angle_gamma                100.9250(10)
_cell_formula_units_Z            2
_cell_length_a                   10.5279(2)
_cell_length_b                   10.7966(3)
_cell_length_c                   14.6437(2)
_cell_measurement_temperature    100(2)
_cell_volume                     1542.15(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0253
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            32999
_diffrn_reflns_theta_full        30.12
_diffrn_reflns_theta_max         30.12
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    0.698
_exptl_absorpt_correction_T_max  0.9129
_exptl_absorpt_correction_T_min  0.7707
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             717
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.13
_refine_diff_density_max         3.420
_refine_diff_density_min         -1.033
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.318
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     725
_refine_ls_number_reflns         8981
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.318
_refine_ls_R_factor_all          0.1041
_refine_ls_R_factor_gt           0.0894
_refine_ls_shift/su_max          5.992
_refine_ls_shift/su_mean         0.121
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0670P)^2^+4.0311P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2096
_refine_ls_wR_factor_ref         0.2182
_reflns_number_gt                7356
_reflns_number_total             8981
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-394-519-525-1.cif
_cod_data_source_block           a
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1512782