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_4339036
_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                77.062(1)
_cell_angle_beta                 86.046(1)
_cell_angle_gamma                81.727(1)
_cell_formula_units_Z            2
_cell_length_a                   7.2836(2)
_cell_length_b                   7.8177(2)
_cell_length_c                   16.2800(4)
_cell_measurement_temperature    173(2)
_cell_volume                     893.42(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.936
_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  0.0316
_diffrn_reflns_av_sigmaI/netI    0.0389
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            15873
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         32.90
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    1.173
_exptl_absorpt_correction_T_max  0.9329
_exptl_absorpt_correction_T_min  0.7197
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.398
_refine_diff_density_min         -0.599
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         6232
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.1848P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
_refine_ls_wR_factor_ref         0.0777
_reflns_number_gt                5174
_reflns_number_total             6232
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0621594si20061114_033818.cif
_cod_data_source_block           yara18
_cod_database_code               4339036