Hydrodealkoxylation reactions of silyl ligands at platinum: reactivity of SiH3 and SiH2Me complexes.
Mitzenheim, Cathérine; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Dalton transactions (Cambridge, England : 2003) 45 (2016) 6394–6404; doi:10.1039/c5dt04923g

data_7038714
_publ_section_title
;
 Hydrodealkoxylation reactions of silyl ligands at platinum: reactivity of
 SiH3 and SiH2Me complexes.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6394
_journal_page_last               6404
_journal_paper_doi               10.1039/c5dt04923g
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C28 H54 Cl4 P2 Pt Si2, C6 H6'
_chemical_formula_sum            'C34 H60 Cl4 P2 Pt Si2'
_chemical_formula_weight         923.83
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-11-26 deposited with the CCDC.
2016-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                85.305(2)
_cell_angle_beta                 73.897(2)
_cell_angle_gamma                83.984(2)
_cell_formula_units_Z            4
_cell_length_a                   11.5338(8)
_cell_length_b                   18.0570(13)
_cell_length_c                   20.1236(14)
_cell_measurement_reflns_used    9873
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.16
_cell_measurement_theta_min      2.27
_cell_volume                     3998.3(5)
_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-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'BRUKER D8 Venture'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            171341
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.174
_diffrn_reflns_theta_min         2.248
_exptl_absorpt_coefficient_mu    3.940
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5681
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER APEX2'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_description       rod
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.040
_refine_diff_density_max         4.647
_refine_diff_density_min         -3.000
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     738
_refine_ls_number_reflns         14241
_refine_ls_number_restraints     35
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0620
_refine_ls_R_factor_gt           0.0514
_refine_ls_shift/su_max          0.064
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0502P)^2^+58.6922P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1229
_refine_ls_wR_factor_ref         0.1297
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12129
_reflns_number_total             14241
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt04923g1.cif
_cod_data_source_block           Pt(SiMeCl2)2(dcpe)_complex_9
_cod_depositor_comments
'Adding full bibliography for 7038713--7038715.cif.'
_cod_database_code               7038714
_shelx_estimated_absorpt_t_min   0.464
_shelx_estimated_absorpt_t_max   0.858
_shelxl_version_number           2013-4
_shelx_res_checksum              53589