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_1512783
_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            'C39 H45 Ag N4 O1.5'
_chemical_formula_weight         701.66
_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                115.974(2)
_cell_angle_beta                 102.260(2)
_cell_angle_gamma                103.788(2)
_cell_formula_units_Z            2
_cell_length_a                   12.3083(4)
_cell_length_b                   13.0893(5)
_cell_length_c                   13.5459(4)
_cell_measurement_reflns_used    9873
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.04
_cell_measurement_theta_min      2.37
_cell_volume                     1775.58(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_method       '\f and \w scans'
_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  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0319
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            51931
_diffrn_reflns_theta_full        34.18
_diffrn_reflns_theta_max         34.18
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    0.604
_exptl_absorpt_correction_T_max  0.9037
_exptl_absorpt_correction_T_min  0.7276
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             732
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.17
_refine_diff_density_max         2.019
_refine_diff_density_min         -1.035
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     772
_refine_ls_number_reflns         14382
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1037P)^2^+1.5351P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1673
_refine_ls_wR_factor_ref         0.1771
_reflns_number_gt                11963
_reflns_number_total             14382
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-394-519-525-2.cif
_cod_data_source_block           bubebaga_0m
_cod_original_cell_volume        1775.58(10)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_original_formula_sum        'C39 H45 Ag N4 O1.50'
_cod_database_code               1512783