Synthesis and Reactivity of (η1-Alkynyl)diorganoplatinum(IV) Species, Including Structural Studies of PtIMe(p-Tol)(CCSiMe3)(dmpe) [dmpe = 1,2-bis(dimethylphosphino)ethane] and the Platinum(II) Reagent PtPh2(dmpe)
Canty, Allan J.; Watson, Russell P.; Karpiniec, Samuel S.; Rodemann, Thomas; Gardiner, Michael G.; Jones, Roderick C.; Organometallics 27 (2008) 3203–; doi:10.1021/om800122k

data_4071354
_publ_section_title
;
 Synthesis and Reactivity of (\h1-Alkynyl)diorganoplatinum(IV) Species,
 Including Structural Studies of PtIMe(p-Tol)(C&#xE5FC;CSiMe3)(dmpe) [dmpe
 = 1,2-bis(dimethylphosphino)ethane] and the Platinum(II) Reagent
 PtPh2(dmpe)
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3203
_journal_paper_doi               10.1021/om800122k
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C18 H26 P2 Pt'
_chemical_formula_sum            'C18 H26 P2 Pt'
_chemical_formula_weight         499.42
_chemical_name_systematic
; 
{1,2-bis(dimethylphosphino)ethane}diphenylplatinium(II)  
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 106.99(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.624(9)
_cell_length_b                   10.9514(18)
_cell_length_c                   10.323(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      14.36
_cell_measurement_theta_min      10.01
_cell_volume                     932.4(10)
_computing_cell_refinement       'CAD4 Express (Enraf-Nonius, 1994)'
_computing_data_collection       'CAD4 Express (Enraf-Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics
;
X-SEED (Barbour, 2001) and ORTEPIII (Farrugia, 1997)
;
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Enraf Nonius TurboCAD4'
_diffrn_measurement_method       'non-profiled omega/2theta 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  0.0465
_diffrn_reflns_av_sigmaI/netI    0.0155
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1812
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2.78
_diffrn_standards_decay_%        5
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.688
_exptl_absorpt_correction_T_max  0.9997
_exptl_absorpt_correction_T_min  0.5922
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
North A.C.T., Phillips D.C. & Mathews F.S. (1968) Acta. Cryst. A24, 351
Number of psi-scan sets used was   4
Theta correction was applied.
Averaged transmission function was used.
No Fourier smoothing was applied.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.089
_refine_diff_density_min         -2.223
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     114
_refine_ls_number_reflns         1716
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0290
_refine_ls_R_factor_gt           0.0275
_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^)+(0.0562P)^2^+0.8078P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0699
_refine_ls_wR_factor_ref         0.0709
_reflns_number_gt                1656
_reflns_number_total             1716
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om800122k-file002.cif
_cod_data_source_block           c:113sk1
_cod_original_sg_symbol_H-M      P21/m
_cod_database_code               4071354