Synthesis and characterization of novel simultaneous C and O-coordinated and nitrate-bridged complexes of silver(I) with carbonyl-stabilized sulfonium ylides and their antibacterial activities.
Sabounchei, Seyyed Javad; Akhlaghi Bagherjeri, Fateme; Mozafari, Zeinab; Boskovic, Colette; Gable, Robert W.; Karamian, Roya; Asadbegy, Mostafa; Dalton transactions (Cambridge, England : 2003) 42 (2013) 2520–2529; doi:10.1039/c2dt31902k

data_7022157
_publ_section_title
;
 Synthesis and characterization of novel simultaneous C and O-coordinated
 and nitrate-bridged complexes of silver(I) with carbonyl-stabilized
 sulfonium ylides and their antibacterial activities.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2520
_journal_page_last               2529
_journal_paper_doi               10.1039/c2dt31902k
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C20.5 H25 Ag N3 O9.5 S2'
_chemical_formula_weight         637.42
_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
_cell_angle_alpha                80.762(2)
_cell_angle_beta                 83.424(3)
_cell_angle_gamma                71.797(3)
_cell_formula_units_Z            4
_cell_length_a                   10.6373(4)
_cell_length_b                   11.2057(3)
_cell_length_c                   23.4336(6)
_cell_measurement_temperature    130(2)
_cell_volume                     2612.87(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_sigmaI/netI    0.0324
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            26713
_diffrn_reflns_theta_full        77.17
_diffrn_reflns_theta_max         77.17
_diffrn_reflns_theta_min         3.83
_exptl_absorpt_coefficient_mu    8.176
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1296
_refine_diff_density_max         2.693
_refine_diff_density_min         -1.739
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     634
_refine_ls_number_reflns         10925
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      0.959
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0599
_refine_ls_shift/su_max          9.707
_refine_ls_shift/su_mean         0.025
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1167P)^2^+18.2131P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1763
_refine_ls_wR_factor_ref         0.1856
_reflns_number_gt                9598
_reflns_number_total             10925
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31902k.txt
_cod_data_source_block           fa-agmg
_cod_original_cell_volume        2612.88(14)
_cod_original_formula_sum        'C20.50 H25 Ag N3 O9.50 S2'
_cod_database_code               7022157