Co-crystallized bis(μ-<i>tert</i>-butylphosphido)bis(di-<i>tert</i>-butylgallium) and tetra-<i>tert</i>-butylcyclotetraphosphane
Kirschbaum, K.; Giolando, D.M.; Acta Crystallographica Section C 50 (1994) 1244–1247; doi:10.1107/S0108270193012053

data_2009941
_publ_section_title
;
 Co-crystallized
 bis(\m-<i>tert</i>-butylphosphido)bis(di-<i>tert</i>-butylgallium) and
 tetra-<i>tert</i>-butylcyclotetraphosphane
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1244
_journal_page_last               1247
_journal_paper_doi               10.1107/S0108270193012053
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         '2(C12 H28 Ga1 P1),C16 H36 P4'
_chemical_formula_sum            'C40 H92 Ga2 P6'
_chemical_formula_weight         898.46
_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           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 102.84(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   9.179(2)
_cell_length_b                   16.978(4)
_cell_length_c                   17.263(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294.0(10)
_cell_measurement_theta_max      12
_cell_measurement_theta_min      9
_cell_volume                     2623.0(10)
_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  0.024
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            5679
_diffrn_reflns_theta_max         26.0
_diffrn_standards_decay_%        -8.5
_diffrn_standards_interval_time  50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.23
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.934
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.14
_exptl_crystal_description       Parallelepiped
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.41(7)
_refine_diff_density_min         -0.26(7)
_refine_ls_goodness_of_fit_obs   1.59
_refine_ls_number_parameters     241
_refine_ls_number_reflns         2687
_refine_ls_R_factor_obs          0.041
_refine_ls_shift/esd_max         <=0.02\s
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^/\s^2^(F~o~^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.051
_reflns_number_observed          2687
_reflns_number_total             5341
_reflns_observed_criterion       F~o~^2^>3\s(F~o~^2^)
_cod_data_source_file            cr1073.cif
_cod_data_source_block           cr1073_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 4F~o~^2^/\s^2^(F~o~^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
4F~o~^2^/\s^2^(F~o~^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2623(2)
_cod_original_sg_symbol_Hall     '-P 2y1'
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               2009941