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_4076723
_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            'C31 H62 N2 P2 Pt Si'
_chemical_formula_weight         747.95
_chemical_name_common            (Me2NC2H4PiPr2)2Pt(Me3SiCCPh)
_chemical_name_systematic
; 

 ? 

;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                81.9820(10)
_cell_angle_beta                 76.9300(10)
_cell_angle_gamma                77.5500(10)
_cell_formula_units_Z            2
_cell_length_a                   10.1007(5)
_cell_length_b                   10.5648(6)
_cell_length_c                   17.7358(9)
_cell_measurement_temperature    193(2)
_cell_volume                     1792.03(16)
_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 0.926
_diffrn_measured_fraction_theta_max 0.926
_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  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0271
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            11714
_diffrn_reflns_theta_full        28.25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    4.058
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.461
_exptl_absorpt_correction_type   'Empirical; SADABS'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.44
_refine_diff_density_max         2.986
_refine_diff_density_min         -2.606
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         8210
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0745P)^2^+3.2887P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1037
_refine_ls_wR_factor_ref         0.1046
_reflns_number_gt                7979
_reflns_number_total             8210
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om010984g.cif
_cod_data_source_block           sad_joncm20
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'na' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4076723