Steric Effects in Heteroboranes. VI. 1-Ph-2-^<i>t^</i>BuMe~2~Si-1,2-<i>closo</i>-C~2~B~10~H~10~
McGrath, T. D.; Welch, A. J.; Acta Crystallographica Section C 51 (1995) 654–657; doi:10.1107/S0108270194009078

data_2003371
_publ_section_title
;
 Steric Effects in Heteroboranes. VI.
 1-Ph-2-^<i>t^</i>BuMe~2~Si-1,2-<i>closo</i>-C~2~B~10~H~10~
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_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              654
_journal_page_last               657
_journal_paper_doi               10.1107/S0108270194009078
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source
'slow diffusion of water into a methanol solution at 277K'
_chemical_formula_moiety         'C14 H30 B10 Si'
_chemical_formula_sum            'C14 H30 B10 Si'
_chemical_formula_weight         334.58
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           'SHELX76 (Sheldrick, 1976)'
_cell_angle_alpha                68.607(25)
_cell_angle_beta                 70.281(24)
_cell_angle_gamma                64.998(17)
_cell_formula_units_Z            2
_cell_length_a                   9.3854(19)
_cell_length_b                   10.2938(26)
_cell_length_c                   13.061(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(1)
_cell_measurement_theta_max      12
_cell_measurement_theta_min      7
_cell_volume                     1039.4(6)
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0089
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3895
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_time  480
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.103
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.069
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.35
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_refine_diff_density_min         -0.26
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.351
_refine_ls_number_parameters     230
_refine_ls_number_reflns         2707
_refine_ls_R_factor_obs          0.0836
_refine_ls_shift/esd_max         0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.000930F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0939
_reflns_number_observed          2707
_reflns_number_total             3650
_reflns_observed_criterion       F>=2.0\s(F)
_cod_data_source_file            mu1123.cif
_cod_data_source_block           mu1123a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.000930F^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)+0.000930F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1039.3(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2003371