Reductive Elimination and Dissociative β-Hydride Abstraction from Pt(IV) Hydroxide and Methoxide Complexes
Smythe, Nicole A.; Grice, Kyle A.; Williams, B. Scott; Goldberg, Karen I.; Organometallics 28 (2009) 277–; doi:10.1021/om800905q

data_4068501
_publ_section_title
;
 Reductive Elimination and Dissociative \b-Hydride Abstraction from Pt(IV)
 Hydroxide and Methoxide Complexes
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              277
_journal_paper_doi               10.1021/om800905q
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C33 H34 O P2 Pt, 2(C4 H8 O)'
_chemical_formula_sum            'C41 H50 O3 P2 Pt'
_chemical_formula_weight         847.84
_chemical_name_common            PtIVOH
_chemical_name_systematic        PtIVOH
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 143.8571(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0485(8)
_cell_length_b                   16.6570(5)
_cell_length_c                   24.3080(8)
_cell_measurement_reflns_used    790
_cell_measurement_temperature    293(2)
_cell_volume                     3832.5(3)
_computing_cell_refinement       'HKL SCALEPACK'
_computing_data_collection       KappaCCD
_computing_data_reduction        DENZO
_computing_molecular_graphics    'maXus, Zortep'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71074
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            54281
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.62
_exptl_absorpt_coefficient_mu    3.780
_exptl_absorpt_correction_T_max  0.7037
_exptl_absorpt_correction_T_min  0.2537
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   DENZO2000
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1712
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.743
_refine_diff_density_min         -0.928
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         6653
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.169
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0377P)^2^+23.9343P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
_refine_ls_wR_factor_ref         0.1026
_reflns_number_gt                3401
_reflns_number_total             6653
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800905q_si_001.cif
_cod_data_source_block           shelxl
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4068501