Synthesis of Trimethylplatinum(IV) Complexes with N,N- and N,O-Heterocyclic Carbene Ligands and Their Reductive C-C Elimination Reactions
Ronald Lindner; Christoph Wagner; Dirk Steinborn; Journal of the American Chemical Society 131 (2009) 8861–8874; doi:10.1021/ja901264t

data_4104595
_publ_section_title
;
 Synthesis of Trimethylplatinum(IV) Complexes with N,N- and
 N,O-Heterocyclic Carbene Ligands and Their Reductive C-C Elimination
 Reactions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8861
_journal_page_last               8874
_journal_paper_doi               10.1021/ja901264t
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C13 H24 N2 O2 Pt'
_chemical_formula_sum            'C13 H24 N2 O2 Pt'
_chemical_formula_weight         435.43
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 95.57(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.4637(17)
_cell_length_b                   13.213(3)
_cell_length_c                   14.322(3)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    220(2)
_cell_volume                     1594.1(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  STOE-IPDS
_diffrn_measurement_method       'area detector'
_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  0.1429
_diffrn_reflns_av_sigmaI/netI    0.0846
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12114
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    8.799
_exptl_absorpt_correction_T_max  0.1833
_exptl_absorpt_correction_T_min  0.0428
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(IPDS Software; Stoe & Cie, 1999)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_description       block
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.608
_exptl_crystal_size_mid          0.304
_exptl_crystal_size_min          0.228
_refine_diff_density_max         4.446
_refine_diff_density_min         -5.286
_refine_diff_density_rms         0.375
_refine_ls_extinction_coef       0.0085(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         3096
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0752
_refine_ls_R_factor_gt           0.0662
_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^)+(0.1054P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1554
_refine_ls_wR_factor_ref         0.1626
_reflns_number_gt                2501
_reflns_number_total             3096
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja901264t_si_003.cif
_cod_data_source_block           z:\ipds2838
_cod_database_code               4104595