Potential of silver against human colon cancer: (synthesis, characterization and crystal structures of xylyl (Ortho, meta, & Para) linked bis-benzimidazolium salts and Ag(I)-NHC complexes: In vitroanticancer studies)
Muhammad Adnan Iqbal; Rosenani A Haque; Siti Fatimah Nasri; AMS Abdul Majid; Mohamed B Khadeer Ahamed; Elham Farsi; Tabinda Fatima; Chemistry Central Journal 7 (2013) 27–; doi:10.1186/1752-153X-7-27

data_1547250
_publ_section_title
;
 Potential of silver against human colon cancer: (synthesis,
 characterization and crystal structures of xylyl (Ortho, meta, & Para)
 linked bis-benzimidazolium salts and Ag(I)-NHC complexes: In
 vitroanticancer studies)
;
_journal_name_full               'Chemistry Central Journal'
_journal_page_first              27
_journal_paper_doi               10.1186/1752-153X-7-27
_journal_volume                  7
_journal_year                    2013
_chemical_formula_sum            'C28 H36 Br2 N4 O2'
_chemical_formula_weight         620.43
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 91.7420(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.3809(2)
_cell_length_b                   11.7017(3)
_cell_length_c                   11.3918(2)
_cell_measurement_temperature    100(2)
_cell_volume                     1383.17(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0663
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20647
_diffrn_reflns_theta_full        32.71
_diffrn_reflns_theta_max         32.71
_diffrn_reflns_theta_min         2.50
_exptl_absorpt_coefficient_mu    2.962
_exptl_absorpt_correction_T_max  0.6923
_exptl_absorpt_correction_T_min  0.4245
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.822
_refine_diff_density_min         -0.451
_refine_diff_density_rms         0.071
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.004(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.934
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     329
_refine_ls_number_reflns         9569
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.934
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0630
_reflns_number_gt                7956
_reflns_number_total             9569
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            13065_2012_593_MOESM4_ESM.cif
_cod_data_source_block           lad1obr_0m
_cod_database_code               1547250