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_8000033
_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_moiety         'C8 H24 Au2 Cl2 N4 O8 Ni2 S4 '
_chemical_formula_sum            'C8 H24 Au2 Cl2 N4 Ni2 O8 S4'
_chemical_formula_weight         1014.78
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.45(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.578(2)
_cell_length_b                   9.806(2)
_cell_length_c                   9.623(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      12.6
_cell_volume                     1184.7(3)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9990
_diffrn_measured_fraction_theta_max 0.9990
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7058
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        -1.14
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    14.574
_exptl_absorpt_correction_T_max  0.150
_exptl_absorpt_correction_T_min  0.056
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.845
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             952.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.96
_refine_diff_density_min         -2.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.787
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     136
_refine_ls_number_reflns         2722
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1010
_reflns_number_gt                0
_reflns_number_total             2722
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'psi-scans' was replaced
with 'psi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C8 H24 Au2 Cl2 N4 O8 Ni2 S4 '
_cod_database_code               8000033