Ru~3~Sn~7~, a re-investigation
Eriksson, Lars; Lanner, Johanna; Acta Crystallographica Section E 57 (2001) i85–i86; doi:10.1107/S1600536801014246

data_2200583
_publ_section_title
;
 Ru~3~Sn~7~, a re-investigation
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i85
_journal_page_last               i86
_journal_paper_doi               10.1107/S1600536801014246
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'Ru3 Sn7'
_chemical_formula_moiety         'Ru3 Sn7'
_chemical_formula_sum            'Ru3 Sn7'
_chemical_formula_weight         1134.04
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3532(19)
_cell_length_b                   9.3532(19)
_cell_length_c                   9.3532(19)
_cell_measurement_reflns_used    984
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      1.6
_cell_volume                     818.2(3)
_computing_cell_refinement       'CELL in IPDS'
_computing_data_collection       'EXPOSE in IPDS (Stoe & Cie, 1997)'
_computing_data_reduction        'X-RED (Stoe & Cie, 1997)'
_computing_molecular_graphics    'DIAMOND (Bergerhoff, 1996)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 6.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0416
_diffrn_reflns_av_sigmaI/netI    .0200
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1394
_diffrn_reflns_theta_full        25.88
_diffrn_reflns_theta_max         25.88
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    26.247
_exptl_absorpt_correction_T_max  .0834
_exptl_absorpt_correction_T_min  .0448
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-RED; Stoe & Cie, 1997)'
_exptl_crystal_colour            dark_grey
_exptl_crystal_density_diffrn    9.206
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1928
_exptl_crystal_size_max          .120
_exptl_crystal_size_mid          .110
_exptl_crystal_size_min          .095
_refine_diff_density_max         .829
_refine_diff_density_min         -2.172
_refine_ls_extinction_coef       .0022(2)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   2.510
_refine_ls_matrix_type           full
_refine_ls_number_parameters     10
_refine_ls_number_reflns         102
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      2.510
_refine_ls_R_factor_all          .0328
_refine_ls_R_factor_gt           .0302
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0100P)^2^ where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0451
_reflns_number_gt                97
_reflns_number_total             102
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br6028.cif
_cod_data_source_block           I
_cod_database_code               2200583
_cod_database_fobs_code          2200583