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_4326716
_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, Li'
_chemical_formula_sum            'Au Li O14 S4'
_chemical_formula_weight         556.15
_chemical_name_systematic
; 
 ? 
;
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.982(2)
_cell_angle_beta                 90.171(2)
_cell_angle_gamma                102.583(2)
_cell_formula_units_Z            1
_cell_length_a                   5.3220(3)
_cell_length_b                   6.4969(4)
_cell_length_c                   8.3672(5)
_cell_measurement_reflns_used    9937
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      40.36
_cell_measurement_theta_min      3.00
_cell_volume                     267.80(3)
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0818
_diffrn_reflns_av_sigmaI/netI    0.0389
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16679
_diffrn_reflns_theta_full        40.36
_diffrn_reflns_theta_max         40.36
_diffrn_reflns_theta_min         3.39
_exptl_absorpt_coefficient_mu    14.595
_exptl_absorpt_correction_T_max  0.1275
_exptl_absorpt_correction_T_min  0.0703
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Red 1.22, Stoe & Cie'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    3.449
_exptl_crystal_description       blocks
_exptl_crystal_F_000             258
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.24
_refine_diff_density_max         3.578
_refine_diff_density_min         -3.404
_refine_diff_density_rms         0.253
_refine_ls_extinction_coef       0.095(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   1.074
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     95
_refine_ls_number_reflns         3377
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0202
_refine_ls_R_factor_gt           0.0202
_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^)+(0.0174P)^2^+0.3935P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0487
_refine_ls_wR_factor_ref         0.0487
_reflns_number_gt                3377
_reflns_number_total             3377
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201671w_si_001.cif
_cod_data_source_block           c:\cl101li\cl101li
_cod_database_code               4326716