Synthesis, crystal structures, and in vitro anticancer properties of new N‒heterocyclic carbene (NHC) silver(I)‒ and gold(I)/(III)‒complexes: A rare example of silver(I)‒NHC complex involved in redox transmetallation
Haque, Rosenani A.; Ghdhayeb, Mohammed Z.; Budagumpi, Srinivasa; Khadeer Ahamed, Mohamed B.; Abdul Majid, Amin Malik Shah; RSC Adv.  (2016) –; doi:10.1039/C6RA09788J

data_7225532
_publ_section_title
;
 Synthesis, crystal structures, and in vitro anticancer properties of new
 N--heterocyclic carbene (NHC) silver(I)-- and gold(I)/(III)--complexes: A
 rare example of silver(I)--NHC complex involved in redox transmetallation
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA09788J
_journal_year                    2016
_chemical_formula_sum            'C37.42 H34.27 Ag Br0 N5.32 O1.93'
_chemical_formula_weight         697.19
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-03-02 deposited with the CCDC.
2016-06-13 downloaded from the CCDC.
;
_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, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_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         8.353
_refine_diff_density_min         -8.435
_refine_diff_density_rms         0.262
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.377
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         8981
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      2.377
_refine_ls_R_factor_all          0.1861
_refine_ls_R_factor_gt           0.1683
_refine_ls_shift/su_max          0.224
_refine_ls_shift/su_mean         0.021
_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          0.3752
_refine_ls_wR_factor_ref         0.3844
_reflns_number_gt                7356
_reflns_number_total             8981
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ra09788j2.cif
_cod_data_source_block           a
_cod_database_code               7225532