Synthesis and Structural Characterization of (n-Bu4N)3AuSn2Te6
Chwanchin Wang; Robert C. Haushalter; Inorganic Chemistry 38 (1999) 595–597; doi:10.1021/ic980198c

data_4321752
_publ_section_title
;
 Synthesis and Structural Characterization of (n-Bu4N)3AuSn2Te6
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              595
_journal_page_last               597
_journal_paper_doi               10.1021/ic980198c
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C48 H108 Au N3 Sn2 Te6'
_chemical_formula_weight         1927.35
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_date             'Tue Mar 18 11:25:22 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.930(6)
_cell_length_b                   35.876(9)
_cell_length_c                   16.334(5)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      19.3
_cell_measurement_theta_min      14.1
_cell_volume                     15195(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.01348
_diffrn_orient_matrix_UB_12      0.02152
_diffrn_orient_matrix_UB_13      -0.03247
_diffrn_orient_matrix_UB_21      -0.01759
_diffrn_orient_matrix_UB_22      0.01770
_diffrn_orient_matrix_UB_23      0.03818
_diffrn_orient_matrix_UB_31      0.03156
_diffrn_orient_matrix_UB_32      0.00066
_diffrn_orient_matrix_UB_33      0.03515
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7836
_diffrn_reflns_theta_max         20.05
_diffrn_reflns_theta_min         2.50
_diffrn_standards_decay_%        -16.07
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.869
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.793
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.685
_exptl_crystal_description       chunk
_exptl_crystal_F_000             7264.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.53
_refine_diff_density_min         -0.57
_refine_ls_abs_structure_details noref
_refine_ls_abs_structure_Flack   noref
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     noref
_refine_ls_goodness_of_fit_all   none
_refine_ls_goodness_of_fit_obs   3.465
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    none
_refine_ls_number_parameters     294
_refine_ls_number_reflns         2837
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          none
_refine_ls_R_factor_obs          0.0615
_refine_ls_shift/esd_max         0.0114
_refine_ls_shift/esd_mean        0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         none
_refine_ls_wR_factor_obs         0.0812
_reflns_number_observed          2837
_reflns_number_total             7836
_reflns_observed_criterion       3.00
_cod_data_source_file            ic980198c.cif
_cod_data_source_block           AuSn2Te6
_cod_original_cell_volume        15195(5)
_cod_original_sg_symbol_H-M      'P b c a '
_cod_original_formula_sum        'C48 H108 Au N3 Sn2 Te6 '
_cod_database_code               4321752