Preparation and Structural Characterization of Ionic Five-Coordinate Palladium(II) and Platinum(II) Complexes of the Ligand Tris[2-(diphenylphosphino)ethyl]phosphine. Insertion of SnCl2 into M-Cl Bonds (M = Pd, Pt) and Hydroformylation Activity of the Pt-SnCl3 Systems
Damián Fernández; M. Inés García-Seijo; Tamás Kégl; György Petöcz; László Kollár; M. Esther García-Fernández; Inorganic Chemistry 41 (2002) 4435–4443; doi:10.1021/ic020006k

data_4318374
_publ_section_title
;
 Preparation and Structural Characterization of Ionic Five-Coordinate
 Palladium(II) and Platinum(II) Complexes of the Ligand
 Tris[2-(diphenylphosphino)ethyl]phosphine. Insertion of SnCl2 into M-Cl
 Bonds (M = Pd, Pt) and Hydroformylation Activity of the Pt-SnCl3 Systems
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4435
_journal_page_last               4443
_journal_paper_doi               10.1021/ic020006k
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C43 H42 Cl9 P4 Pt Sn2'
_chemical_formula_weight         1434.17
_chemical_name_systematic
;
  [Pt(PP3)(SnCl3)](SnCl3).CHCl3
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 113.165(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.514(3)
_cell_length_b                   42.380(11)
_cell_length_c                   10.552(3)
_cell_measurement_reflns_used    962
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.41
_cell_volume                     5145(2)
_computing_cell_refinement       'BRUKER Smart'
_computing_data_collection       'BRUKER Smart'
_computing_data_reduction        'BRUKER Shelxtl'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0767
_diffrn_reflns_av_sigmaI/netI    0.1138
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            33126
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         0.96
_exptl_absorpt_coefficient_mu    4.298
_exptl_absorpt_correction_T_max  0.7249
_exptl_absorpt_correction_T_min  0.1758
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.851
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2764
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.401
_refine_diff_density_min         -2.168
_refine_diff_density_rms         0.194
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         10514
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.1267
_refine_ls_R_factor_gt           0.0658
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=3D1/[\s^2^(Fo^2^)+(0.0533P)^2^+49.9190P] where P=3D(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1363
_refine_ls_wR_factor_ref         0.1603
_reflns_number_gt                6122
_reflns_number_total             10514
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020006k_3.cif
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4318374