Catalytic Diboration of Unsaturated Molecules with Platinum(0)−NHC: Selective Synthesis of 1,2-Dihydroxysulfones
Lillo, Vanesa; Mata, Jose; Ramírez, Jesús; Peris, Eduardo; Fernandez, Elena; Organometallics 25 (2006) 5829–; doi:10.1021/om060666n

data_4074470
_publ_section_title
;
 Catalytic Diboration of Unsaturated Molecules with
 Platinum(0)&#x2212;NHC:&#x00A0; Selective Synthesis of
 1,2-Dihydroxysulfones
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              5829
_journal_paper_doi               10.1021/om060666n
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C19 H36 Cl2 N2 O Pt Si2'
_chemical_formula_weight         630.67
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                110.4210(10)
_cell_angle_beta                 94.9940(10)
_cell_angle_gamma                113.8260(10)
_cell_formula_units_Z            2
_cell_length_a                   10.9913(6)
_cell_length_b                   11.6576(6)
_cell_length_c                   12.2813(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1300.47(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_av_sigmaI/netI    0.0611
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9373
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    5.704
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.399
_refine_diff_density_min         -0.835
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     250
_refine_ls_number_reflns         6366
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0499P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0959
_refine_ls_wR_factor_ref         0.1074
_reflns_number_gt                4576
_reflns_number_total             6366
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060666nsi20060726_054844.cif
_cod_data_source_block
;
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4074470