Thermal and Photochemical Silicon−Carbon Bond Activation in Donor-Stabilized Platinum(0)−Alkyne Complexes
Müller, Christian; Lachicotte, Rene J.; Jones, William D.; Organometallics 21 (2002) 1190–; doi:10.1021/om010984g

data_4076721
_publ_section_title
;
 Thermal and Photochemical Silicon&#x2212;Carbon Bond Activation in
 Donor-Stabilized Platinum(0)&#x2212;Alkyne Complexes
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1190
_journal_paper_doi               10.1021/om010984g
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C21 H38 N P Pt Si'
_chemical_formula_weight         558.67
_chemical_name_common            (PN)Pt(SiMe3)(CCPh)
_chemical_name_systematic
; 

 ? 

;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 93.753(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5260(9)
_cell_length_b                   13.2090(11)
_cell_length_c                   17.2804(14)
_cell_measurement_reflns_used    4574
_cell_measurement_temperature    193(2)
_cell_volume                     2397.5(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0538
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15599
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    5.974
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.805
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          .20
_exptl_crystal_size_mid          .24
_exptl_crystal_size_min          .36
_refine_diff_density_max         1.592
_refine_diff_density_min         -3.702
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.221
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         5789
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.220
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0676
_refine_ls_shift/su_max          0.020
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0334P)^2^+12.2163P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1045
_refine_ls_wR_factor_ref         0.1103
_reflns_number_gt                4882
_reflns_number_total             5789
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om010984g.cif
_cod_data_source_block           sad_joncm15
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4076721