CO, Isocyanide, Alkene, and Alkyne Insertions into Platinaoxetane Pt−O Bonds
Wu, Jianguo; Sharp, Paul R.; Organometallics 27 (2008) 4810–; doi:10.1021/om8005849

data_4072097
_publ_section_title
;
 CO, Isocyanide, Alkene, and Alkyne Insertions into Platinaoxetane
 Pt&#x2212;O Bonds
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              4810
_journal_paper_doi               10.1021/om8005849
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C16 H22 O2 Pt'
_chemical_formula_weight         441.43
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_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_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 122.2070(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.776(2)
_cell_length_b                   13.8500(14)
_cell_length_c                   11.4466(12)
_cell_measurement_temperature    173(2)
_cell_volume                     2786.9(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0263
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9495
_diffrn_reflns_theta_full        27.17
_diffrn_reflns_theta_max         27.17
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    10.065
_exptl_absorpt_correction_T_max  0.3136
_exptl_absorpt_correction_T_min  0.1266
_exptl_crystal_density_diffrn    2.104
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.990
_refine_diff_density_min         -2.303
_refine_diff_density_rms         0.188
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         3073
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0375
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0244P)^2^+71.2311P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0800
_refine_ls_wR_factor_ref         0.0827
_reflns_number_gt                2687
_reflns_number_total             3073
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om8005849_si_002.cif
_cod_data_source_block           c:\xtals\sharp\ptco\ptco
_cod_database_code               4072097