1,1';2,2'-Bis-μ-dimethylsilyl-bis[1,2-dicarba-<i>closo</i>-dodecaborane(12)], C~8~H~32~B~20~Si~2~
Kivekäs, R.; Romerosa, A.; Viñas, C.; Acta Crystallographica Section C 50 (1994) 638–640; doi:10.1107/S0108270193009734

data_2009577
_publ_section_title
;1,1';2,2'-Bis-\m-dimethylsilyl-bis[1,2-dicarba-<i>closo</i>-dodecaborane(12)],
 C~8~H~32~B~20~Si~2~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              638
_journal_page_last               640
_journal_paper_doi               10.1107/S0108270193009734
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C8 H32 B20 Si2'
_chemical_formula_weight         400.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_type_scat_source           'Xtal2.6 (Hall & Stewart, 1989)'
_cell_angle_alpha                90.
_cell_angle_beta                 107.74(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   9.794(2)
_cell_length_b                   9.614(2)
_cell_length_c                   13.105(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      14
_cell_measurement_theta_min      10
_cell_volume                     1175.3(4)
_computing_cell_refinement       'Syntex P2~1~ software'
_computing_data_collection       'Syntex P2~1~ software'
_computing_data_reduction        'Syntex P2~1~ software'
_computing_molecular_graphics    'Xtal ORTEP'
_computing_publication_material  'BONDLA and ATABLE'
_computing_structure_refinement  'Xtal2.6 (Hall & Stewart, 1989)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1986)'
_diffrn_measurement_device       'Syntex P2~1~'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            2727
_diffrn_reflns_theta_max         26.5
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.147
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.97
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.132
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.31
_refine_diff_density_min         0.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.64
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     201
_refine_ls_number_reflns         1563
_refine_ls_R_factor_obs          0.062
_refine_ls_shift/esd_max         0.098
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.053
_reflns_number_observed          1563
_reflns_number_total             2433
_reflns_observed_criterion       |F|>4\s(F)
_cod_data_source_file            ab1091.cif
_cod_data_source_block           ab1091_structure_1_of_1
_cod_depositor_comments
;
 Changing the space group from '-P 1' to '-P 2ybc' after consulting the
 original publication. All related space group information was changed
 accordingly.

 Antanas Vaitkus,
 2017-07-05

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009577