Steric Effects in Heteroboranes. V. 1-Ph-2-Me~3~Si-1,2-<i>closo</i>-C~2~B~10~H~10~
McGrath, T. D.; Welch, A. J.; Acta Crystallographica Section C 51 (1995) 651–654; doi:10.1107/S010827019400908X

data_2003370
_publ_section_title
;
 Steric Effects in Heteroboranes. V.
 1-Ph-2-Me~3~Si-1,2-<i>closo</i>-C~2~B~10~H~10~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              651
_journal_page_last               654
_journal_paper_doi               10.1107/S010827019400908X
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source
'Slow diffusion of water into a methanol solution at 277 K'
_chemical_formula_sum            'C11 H24 B10 Si'
_chemical_formula_weight         292.51
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_type_scat_source           'SHELX76 (Sheldrick, 1976)'
_cell_angle_alpha                90.0
_cell_angle_beta                 103.47(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   8.931(2)
_cell_length_b                   11.303(6)
_cell_length_c                   9.143(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(1)
_cell_measurement_theta_max      12
_cell_measurement_theta_min      11
_cell_volume                     897.6(6)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0128
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3375
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0.9
_diffrn_standards_interval_time  480
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.11
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.082
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         '0.43(near Si)'
_refine_diff_density_min         -0.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.341
_refine_ls_hydrogen_treatment    'H-atom treatment: see text'
_refine_ls_number_parameters     122
_refine_ls_number_reflns         1442
_refine_ls_R_factor_obs          0.0643
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w=1/[\s^2^(F) + 0.001314F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0892
_reflns_number_observed          1442
_reflns_number_total             1666
_reflns_observed_criterion       F>=2.0\s(F)
_cod_data_source_file            mu1122.cif
_cod_data_source_block           mu1122a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=1/[\s^2^(F) + 0.001314F^2^]'
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) +
0.001314F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        897.5(6)
_cod_original_sg_symbol_Hall     '-P 2y1'
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_original_formula_sum        'C11 H24 B10 Si1'
_cod_database_code               2003370