A 14-VE Platinum(0) Phosphabarrelene Complex in the Hydrosilylation of Alkynes
Blug, Matthias; Le Goff, Xavier-Frederic; Mézailles, Nicolas; Le Floch, Pascal; Organometallics 28 (2009) 2360–; doi:10.1021/om900067f

data_4069178
_publ_section_title
;
 A 14-VE Platinum(0) Phosphabarrelene Complex in the Hydrosilylation of
 Alkynes
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              2360
_journal_paper_doi               10.1021/om900067f
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C38 H59 Cl P2 Pt Si4, 4(C4 H8 O)'
_chemical_formula_sum            'C54 H91 Cl O4 P2 Pt Si4'
_chemical_formula_weight         1209.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.590(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.770(1)
_cell_length_b                   17.431(1)
_cell_length_c                   17.693(1)
_cell_measurement_reflns_used    3151
_cell_measurement_temperature    150.0(1)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     5993.3(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.0(1)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_av_sigmaI/netI    0.0906
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20562
_diffrn_reflns_theta_full        30.02
_diffrn_reflns_theta_max         30.02
_diffrn_reflns_theta_min         3.21
_exptl_absorpt_coefficient_mu    2.559
_exptl_absorpt_correction_T_max  0.7839
_exptl_absorpt_correction_T_min  0.6286
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Denzo/Scalepack (Otwinowski & Minor, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             2512
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.264
_refine_diff_density_min         -3.161
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         8676
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0452
_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^)+(0.0505P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0994
_refine_ls_wR_factor_ref         0.1084
_reflns_number_gt                6493
_reflns_number_total             8676
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900067f_si_002.cif
_cod_data_source_block           mb516
_cod_original_sg_symbol_H-M      'C2/c     '
_cod_database_code               4069178