Synthesis and crystal structure of a hexanuclear silver(I) cluster [Ag(Hmna)]6·4H2O (H2mna = 2-mercaptonicotinic acid) and a supramolecular gold(I) complex H[Au(Hmna)2] in the solid state, and their antimicrobial activities
Nomiya, Kenji; Takahashi, Satoshi; Noguchi, Ryusuke; Journal of the Chemical Society, Dalton Transactions  (2000) 2091–; doi:10.1039/b001664k

data_7009522
_publ_section_title
;
 Synthesis and crystal structure of a hexanuclear silver(I) cluster
 [Ag(Hmna)]6&#x00B7;4H2O (H2mna&#x2005;=&#x2005;2-mercaptonicotinic
 acid) and a supramolecular gold(I) complex H[Au(Hmna)2] in the solid
 state, and their antimicrobial activities
;
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2091
_journal_paper_doi               10.1039/b001664k
_journal_year                    2000
_chemical_formula_moiety         'C12 H9 Au N2 O4 S2 '
_chemical_formula_sum            'C12 H9 Au N2 O4 S2'
_chemical_formula_weight         506.30
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            16
_cell_length_a                   15.554(3)
_cell_length_b                   15.5541
_cell_length_c                   31.260(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      13.9
_cell_measurement_theta_min      10.6
_cell_volume                     6549.5(16)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'Direct method(SIR92)'
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       'Rigaku AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.04336
_diffrn_orient_matrix_UB_12      -0.03041
_diffrn_orient_matrix_UB_13      -0.00159
_diffrn_orient_matrix_UB_21      0.06024
_diffrn_orient_matrix_UB_22      0.06769
_diffrn_orient_matrix_UB_23      0.00033
_diffrn_orient_matrix_UB_31      0.00153
_diffrn_orient_matrix_UB_32      -0.00221
_diffrn_orient_matrix_UB_33      0.03195
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.06940
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3585
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.62
_diffrn_standards_decay_%        -0.45
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.285
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_correction_T_min  0.564
_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.054
_exptl_crystal_density_meas      ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             3808.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.31
_refine_diff_density_min         -1.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.222
_refine_ls_goodness_of_fit_ref   1.220
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    2
_refine_ls_number_parameters     96
_refine_ls_number_reflns         931
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.0100
_refine_ls_shift/su_mean         0.0024
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00016|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0380
_refine_ls_wR_factor_ref         0.0380
_reflns_number_gt                931
_reflns_number_total             1861
_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            b001664k.txt
_cod_data_source_block           B001664K_H[Au(Hmna)2]_
_cod_original_cell_volume        6549(1)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'C12 H9 Au N2 O4 S2 '
_cod_database_code               7009522