Comparison of the Reactivity of Platinum(II) and Platinum(0) Complexes with Iminophosphine and Phosphinocarbonyl Ligands
Vaughan, Teresa F.; Koedyk, David J.; Spencer, John L.; Organometallics 30 (2011) 5170–; doi:10.1021/om2005113

data_4065023
_publ_section_title
;
 Comparison of the Reactivity of Platinum(II) and Platinum(0) Complexes
 with Iminophosphine and Phosphinocarbonyl Ligands
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              5170
_journal_paper_doi               10.1021/om2005113
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C38 H28 O2 P2 Pt, C6 H6'
_chemical_formula_sum            'C44 H34 O2 P2 Pt'
_chemical_formula_weight         851.74
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2011-02-21
_audit_creation_method
;
  Olex2 1.1
  (compiled 2010.09.30 svn.r1450, GUI svn.r3284)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 112.622(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.6485(11)
_cell_length_b                   18.4002(13)
_cell_length_c                   14.5882(11)
_cell_measurement_reflns_used    9939
_cell_measurement_temperature    118(2)
_cell_measurement_theta_max      31.61
_cell_measurement_theta_min      2.68
_cell_volume                     3381.7(5)
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      118.0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.908
_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  0.0751
_diffrn_reflns_av_unetI/netI     0.0598
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            44399
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         34.37
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    4.283
_exptl_absorpt_correction_T_max  31.61
_exptl_absorpt_correction_T_min  2.68
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.673
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.490
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.150
_refine_diff_density_max         2.926
_refine_diff_density_min         -4.726
_refine_diff_density_rms         0.281
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     233
_refine_ls_number_reflns         6456
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0746
_refine_ls_R_factor_gt           0.0454
_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^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1163
_refine_ls_wR_factor_ref         0.1448
_reflns_number_gt                5029
_reflns_number_total             6456
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2005113_si_002.cif
_cod_data_source_block           djka
_cod_original_cell_volume        3381.7(4)
_cod_database_code               4065023