Pt(PEt3)(κ2-P,C-PEt2CHMe)(C6Cl5): An Unexpected Intermediate in the Synthesis ofcis-Pt(PEt3)2(Cl)(C6Cl5)
Robinson, Robert; Clarkson, Joseph M.; Moody, Morgan A.; Sharp, Paul R.; Organometallics 30 (2011) 1730–; doi:10.1021/om1010879

data_4064023
_publ_section_title
;
 Pt(PEt3)(\k2-P,C-PEt2CHMe)(C6Cl5): An Unexpected Intermediate in the
 Synthesis ofcis-Pt(PEt3)2(Cl)(C6Cl5)
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1730
_journal_paper_doi               10.1021/om1010879
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C18 H29 Cl5 P2 Pt'
_chemical_formula_sum            'C18 H29 Cl5 P2 Pt'
_chemical_formula_weight         679.69
_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                78.199(6)
_cell_angle_beta                 88.380(6)
_cell_angle_gamma                88.251(6)
_cell_formula_units_Z            2
_cell_length_a                   8.356(4)
_cell_length_b                   9.736(5)
_cell_length_c                   15.204(8)
_cell_measurement_temperature    173(2)
_cell_volume                     1209.9(11)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2008)'
_computing_data_collection       'APEX2 (Bruker AXS, 2008)'
_computing_data_reduction        'APEX2 (Bruker AXS, 2008)'
_computing_molecular_graphics
'X-Seed (Atwood & Barbour, 2003; Barbour, 2001)'
_computing_publication_material
'X-Seed (Atwood & Barbour, 2003; Barbour, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEXII 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  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0293
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13822
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.37
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    6.486
_exptl_absorpt_correction_T_max  0.5632
_exptl_absorpt_correction_T_min  0.2939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker-SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.236
_refine_diff_density_min         -0.725
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         5450
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0267
_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^)+(0.0333P)^2^+1.6077P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0620
_refine_ls_wR_factor_ref         0.0654
_reflns_number_gt                4957
_reflns_number_total             5451
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1010879_si_002.cif
_cod_data_source_block           (PEt3)Pt(kappa2-P,C-PEt2CHMe)(C6Cl5)_(1)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4064023