Synthesis, Properties, and Catalytic Applications of Caged, Compact Trialkylphosphine 4-Phenyl-1-phospha-4-silabicyclo[2.2.2]octane
Ochida, Atsuko; Hamasaka, Go; Yamauchi, Yoshihiro; Kawamorita, Soichiro; Oshima, Naoya; Hara, Kenji; Ohmiya, Hirohisa; Sawamura, Masaya; Organometallics 27 (2008) 5494–; doi:10.1021/om8005728

data_4072075
_publ_section_title
;
 Synthesis, Properties, and Catalytic Applications of Caged, Compact
 Trialkylphosphine 4-Phenyl-1-phospha-4-silabicyclo[2.2.2]octane
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5494
_journal_paper_doi               10.1021/om8005728
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C12 H20 B P Si '
_chemical_formula_sum            'C12 H20 B P Si'
_chemical_formula_weight         234.16
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.056(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.3632(3)
_cell_length_b                   7.6482(3)
_cell_length_c                   13.6844(7)
_cell_measurement_reflns_used    7494
_cell_measurement_temperature    120.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.7
_cell_volume                     660.94(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9994
_diffrn_measured_fraction_theta_max 0.9994
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6031
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.265
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.859
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.177
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.15
_refine_ls_abs_structure_Flack   0.6(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.265
_refine_ls_number_parameters     149
_refine_ls_number_reflns         1501
_refine_ls_R_factor_gt           0.0278
_refine_ls_shift/su_max          0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0371
_reflns_number_gt                1501
_reflns_number_total             1631
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            om8005728_si_002.cif
_cod_data_source_block           Ph-SMAP-BH3
_cod_original_cell_volume        660.93(5)
_cod_original_formula_sum        'C12 H20 B P Si '
_cod_database_code               4072075