Sulfur-bridged Linkage of [Ni(thiolato)2(amine)2]-type Complexes with Linear Gold(I) Ions Assisted by Aurophilic Interaction
Takumi Konno; Masafumi Usami; Atsushi Toyota; Masakazu Hirotsu; Tatsuya Kawamoto; Chemistry Letters 34 (2005) 1146–; doi:10.1246/cl.2005.1146

data_8000034
_publ_section_title
;
 Sulfur-bridged Linkage of [Ni(thiolato)2(amine)2]-type Complexes with
 Linear Gold(I) Ions Assisted by Aurophilic Interaction
;
_journal_issue                   8
_journal_name_full               'Chemistry Letters'
_journal_page_first              1146
_journal_paper_doi               10.1246/cl.2005.1146
_journal_volume                  34
_journal_year                    2005
_chemical_formula_sum            'C32 H56 Au4 B4 F16 N8 Ni4 S8'
_chemical_formula_weight         2179.27
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.8970(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.8755(7)
_cell_length_b                   14.4047(7)
_cell_length_c                   17.8405(6)
_cell_measurement_temperature    296(2)
_cell_volume                     5929.5(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0638
_diffrn_reflns_av_sigmaI/netI    0.0530
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            25453
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    11.465
_exptl_absorpt_correction_T_max  0.3935
_exptl_absorpt_correction_T_min  0.2076
_exptl_crystal_density_diffrn    2.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4096
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.498
_refine_diff_density_min         -1.961
_refine_diff_density_rms         0.532
_refine_ls_extinction_coef       0.00062(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         6757
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0903
_refine_ls_R_factor_gt           0.0505
_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^)+(0.0676P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1073
_refine_ls_wR_factor_ref         0.1289
_reflns_number_gt                4353
_reflns_number_total             6757
_reflns_threshold_expression     >2sigma(I)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8000034