Synthesis and structure of silver complexes with nicotinate-type ligands having antibacterial activities against clinically isolated antibiotic resistant pathogens.
Abu-Youssef, Morsy A M; Dey, Raja; Gohar, Yousry; Massoud, Alshima'a A.; Ohrström, Lars; Langer, Vratislav; Inorganic chemistry 46 (2007) 5893–5903; doi:10.1021/ic0621594

data_4339037
_publ_section_title
;
 Synthesis and structure of silver complexes with nicotinate-type ligands
 having antibacterial activities against clinically isolated antibiotic
 resistant pathogens.
;
_journal_issue                   15
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5893
_journal_page_last               5903
_journal_paper_doi               10.1021/ic0621594
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C16 H18 Ag N3 O7'
_chemical_formula_weight         472.20
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                64.437(1)
_cell_angle_beta                 76.351(1)
_cell_angle_gamma                74.229(1)
_cell_formula_units_Z            2
_cell_length_a                   6.9450(1)
_cell_length_b                   12.0900(3)
_cell_length_c                   12.4690(2)
_cell_measurement_temperature    173(2)
_cell_volume                     900.39(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0515
_diffrn_reflns_av_sigmaI/netI    0.0636
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13821
_diffrn_reflns_theta_full        29.27
_diffrn_reflns_theta_max         29.27
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    1.164
_exptl_absorpt_correction_T_max  0.9659
_exptl_absorpt_correction_T_min  0.6793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.953
_refine_diff_density_min         -0.971
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         4915
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0447
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0510P)^2^+0.0650P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.1042
_reflns_number_gt                3522
_reflns_number_total             4915
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0621594si20061114_033818.cif
_cod_data_source_block           yara22
_cod_database_code               4339037