Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and Tris(trimethylsilyl)phosphine
Bruckmann, J.; Krüger, C.; Acta Crystallographica Section C 51 (1995) 1152–1155; doi:10.1107/S0108270194014356

data_2003554
_publ_section_title
;
 Tris(<i>n</i>-butyl)phosphine, Tris(<i>tert</i>-butyl)phosphine and
 Tris(trimethylsilyl)phosphine
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1152
_journal_page_last               1155
_journal_paper_doi               10.1107/S0108270194014356
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C12 H27 P'
_chemical_formula_weight         202.32
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 111.36(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.219(1)
_cell_length_b                   13.768(5)
_cell_length_c                   11.133(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    102
_cell_measurement_theta_max      16
_cell_measurement_theta_min      8
_cell_volume                     1316.0(6)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0071
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3270
_diffrn_reflns_theta_max         27.4
_diffrn_standards_decay_%        6.9
_diffrn_standards_interval_time  30
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.167
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.02
_exptl_crystal_description       cylindrical
_exptl_crystal_size_max          'Height 0.4'
_exptl_crystal_size_rad          0.1
_refine_diff_density_max         0.51
_refine_diff_density_min         -0.29
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.8
_refine_ls_hydrogen_treatment    'refall isotropically'
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2412
_refine_ls_R_factor_obs          0.040
_refine_ls_shift/esd_max         0.05
_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         0.045
_reflns_number_observed          2412
_reflns_number_total             2973
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            hr1046.cif
_cod_data_source_block           hr1046b
_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 
;
_cod_original_sg_number          4
_cod_original_sg_symbol_Hall     '-P 2yn'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2003554