The Unique bis-(Disulfato)-aurate Anion [Au(S2O7)2]-: Synthesis and Characterization of Li[Au(S2O7)2] and Na[Au(S2O7)2]
Christian Logemann; Mathias S. Wickleder; Inorganic Chemistry 50 (2011) 11111–11116; doi:10.1021/ic201671w

data_4326717
_publ_contact_author_address
;Universit\"at Oldenburg
Institut f\"ur Reine und Angewandte Chemie
Carl von Ossietzky-Str. 9-11
26129 Oldenburg
Germany
;
_publ_contact_author_email       mathias.wickleder@uni-oldenburg.de
_publ_contact_author_name        'M. S. Wickleder'
_publ_section_title
;
 The Unique bis-(Disulfato)-aurate Anion [Au(S2O7)2]-: Synthesis and
 Characterization of Li[Au(S2O7)2] and Na[Au(S2O7)2]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11111
_journal_page_last               11116
_journal_paper_doi               10.1021/ic201671w
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'Au O14 S4, Na'
_chemical_formula_sum            'Au Na O14 S4'
_chemical_formula_weight         572.20
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.548(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.3331(3)
_cell_length_b                   11.9338(7)
_cell_length_c                   9.0767(5)
_cell_measurement_reflns_used    5697
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.34
_cell_measurement_theta_min      3.41
_cell_volume                     571.26(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD, Bruker AXS'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0240
_diffrn_reflns_av_sigmaI/netI    0.0140
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            9067
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         3.41
_exptl_absorpt_coefficient_mu    13.724
_exptl_absorpt_correction_T_max  0.4141
_exptl_absorpt_correction_T_min  0.1547
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Red 1.22, Stoe & Cie'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.327
_exptl_crystal_description       blocks
_exptl_crystal_F_000             532
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.801
_refine_diff_density_min         -0.689
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       0.0083(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   1.072
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     95
_refine_ls_number_reflns         1406
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0140
_refine_ls_R_factor_gt           0.0123
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0121P)^2^+0.7219P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0280
_refine_ls_wR_factor_ref         0.0291
_reflns_number_gt                1296
_reflns_number_total             1406
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201671w_si_002.cif
_cod_data_source_block           c:\cl110au\cl110au
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4326717