Bis(stibahousene).
Lee, Vladimir Ya; Ota, Kei; Ito, Yuki; Gapurenko, Olga A.; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Gornitzka, Heinz; Journal of the American Chemical Society 139 (2017) 13897–13902; doi:10.1021/jacs.7b07712

data_4131639
_publ_section_title
;
 Bis(stibahousene).
;
_journal_issue                   39
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13897
_journal_page_last               13902
_journal_paper_doi               10.1021/jacs.7b07712
_journal_volume                  139
_journal_year                    2017
_chemical_formula_sum            'C34.5 H78 F8 Sb4 Si8'
_chemical_formula_weight         1356.68
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                103.792(4)
_cell_angle_beta                 90.529(4)
_cell_angle_gamma                105.736(4)
_cell_formula_units_Z            2
_cell_length_a                   11.598(5)
_cell_length_b                   15.124(6)
_cell_length_c                   17.221(7)
_cell_measurement_reflns_used    9853
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.41
_cell_measurement_theta_min      2.22
_cell_volume                     2815(2)
_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-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1615
_diffrn_reflns_av_unetI/netI     0.1272
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28707
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.468
_diffrn_reflns_theta_min         1.221
_exptl_absorpt_coefficient_mu    2.119
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5265
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_description       plate
_exptl_crystal_F_000             1346
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.739
_refine_diff_density_min         -3.866
_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     733
_refine_ls_number_reflns         11406
_refine_ls_number_restraints     908
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0995
_refine_ls_R_factor_gt           0.0721
_refine_ls_shift/su_max          0.387
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+38.9964P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1662
_refine_ls_wR_factor_ref         0.1802
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8912
_reflns_number_total             11406
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja7b07712_si_002.cif
_cod_data_source_block           sbsbdimer
_cod_original_cell_volume        2814.9(19)
_cod_database_code               4131639
_shelxl_version_number           2014-3
_shelx_res_checksum              39638
_shelx_hkl_checksum              44414