Coordination of Phosphinoboranes R2PB(C6F5)2 to Platinum: An Alkene-Type Behavior
Abderrahmane Amgoune; Sonia Ladeira; Karinne Miqueu; Didier Bourissou; Journal of the American Chemical Society 134 (2012) 6560–6563; doi:10.1021/ja301929n

data_4117844
_publ_section_title
;
 Coordination of Phosphinoboranes R2PB(C6F5)2 to Platinum: An Alkene-Type
 Behavior
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6560
_journal_page_last               6563
_journal_paper_doi               10.1021/ja301929n
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'C64 H62 B F10 O P3 Pt'
_chemical_formula_weight         1335.95
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.559(4)
_cell_angle_beta                 89.755(4)
_cell_angle_gamma                80.206(4)
_cell_formula_units_Z            2
_cell_length_a                   11.7431(9)
_cell_length_b                   13.7282(12)
_cell_length_c                   18.1320(16)
_cell_measurement_reflns_used    9650
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      34.81
_cell_measurement_theta_min      2.75
_cell_volume                     2880.4(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker kappa APEX-II Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_sigmaI/netI    0.0225
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            49917
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         5.12
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.594
_exptl_absorpt_correction_T_max  0.6524
_exptl_absorpt_correction_T_min  0.4088
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_description       block
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.067
_refine_diff_density_min         -0.915
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     767
_refine_ls_number_reflns         14004
_refine_ls_number_restraints     157
_refine_ls_restrained_S_all      1.198
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0224
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0304P)^2^+2.1839P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0592
_refine_ls_wR_factor_ref         0.0625
_reflns_number_gt                13012
_reflns_number_total             14004
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja301929n_si_002.cif
_cod_data_source_block           4
_cod_database_code               4117844