Participation of Sodium in the Bonding of Anionic Networks: Synthesis, Structure, and Bonding of Na3MIn2 (M = Au, Ag)
Bin Li; John D. Corbett; Inorganic Chemistry 44 (2005) 6515–6517; doi:10.1021/ic050979v

data_4309614
_publ_contact_author_address
; Department of Chemistry 
  Iowa State University 
  Ames, IA 50011 
  USA 
;
_publ_contact_author_email       jdc@ameslab.gov
_publ_contact_author_fax         '(515) 294-6789'
_publ_contact_author_name        'John Corbett'
_publ_contact_author_phone       '(515) 294-3086'
_publ_section_title
;
Participation of Sodium in the Bonding of Anionic Networks: Synthesis,
Structure, and Bonding of Na3MIn2 (M = Au, Ag)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6515
_journal_page_last               6517
_journal_paper_doi               10.1021/ic050979v
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Au In2 Na3'
_chemical_formula_weight         495.58
_chemical_name_common            Na3AuIn2
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   13.5337(16)
_cell_length_b                   13.5337(16)
_cell_length_c                   13.5337(16)
_cell_measurement_reflns_used    989
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      55
_cell_measurement_theta_min      5
_cell_volume                     2478.8(5)
_computing_data_collection       'internal program'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_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  0.0432
_diffrn_reflns_av_sigmaI/netI    0.0153
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            4830
_diffrn_reflns_theta_full        28.21
_diffrn_reflns_theta_max         28.21
_diffrn_reflns_theta_min         2.61
_exptl_absorpt_coefficient_mu    31.052
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    5.312
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             3360
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.642
_refine_diff_density_min         -0.405
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       0.00038(2)
_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   1.094
_refine_ls_matrix_type           full
_refine_ls_number_parameters     11
_refine_ls_number_reflns         180
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0148
_refine_ls_R_factor_gt           0.0146
_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^)+(0.0025P)^2^+115.9227P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0344
_refine_ls_wR_factor_ref         0.0344
_reflns_number_gt                178
_reflns_number_total             180
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050979vrom20050615_055644.cif
_cod_data_source_block           Na3AuIn2
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Au1 In2 Na3'
_cod_database_code               4309614