1-Diphenylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)
Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R.; Acta Crystallographica Section C 50 (1994) 2027–2030; doi:10.1107/S0108270194003306

data_2010232
_publ_section_title
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 1-Diphenylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)
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_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2027
_journal_page_last               2030
_journal_paper_doi               10.1107/S0108270194003306
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C15 H23 B10 P'
_chemical_formula_weight         342.4
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_type_scat_source           'XTAL3.0 (Hall & Stewart, 1990)'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.057(3)
_cell_length_b                   12.937(2)
_cell_length_c                   13.639(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      16.6
_cell_measurement_theta_min      13.2
_cell_volume                     1951.0(8)
_diffrn_measurement_device       'Rigaku AFC-5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2565
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0.1
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.13
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.948
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.166
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.38
_refine_diff_density_max         0.2
_refine_diff_density_min         -0.2
_refine_ls_goodness_of_fit_obs   1.390
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     326
_refine_ls_number_reflns         1752
_refine_ls_R_factor_obs          0.048
_refine_ls_shift/esd_max         0.043
_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         0.047
_reflns_number_observed          1752
_reflns_number_total             2565
_reflns_observed_criterion       |F|>3\s(F)
_cod_data_source_file            ab1140.cif
_cod_data_source_block           ab1140a
_cod_depositor_comments
;
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 
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_cod_original_formula_sum        'C15 H23 B10 P1'
_cod_database_code               2010232