Reactions of Five-Coordinate Platinum(IV) Complexes with Molecular Oxygen
Scheuermann, Margaret L.; Luedtke, Avery T.; Hanson, Susan K.; Fekl, Ulrich; Kaminsky, Werner; Goldberg, Karen I.; Organometallics 32 (2013) 4752–; doi:10.1021/om4003363

data_4081239
_publ_section_title
;
 Reactions of Five-Coordinate Platinum(IV) Complexes with Molecular Oxygen
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4752
_journal_paper_doi               10.1021/om4003363
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         '2(C27 H40 N2 O Pt), C5 H12'
_chemical_formula_sum            'C59 H92 N4 O2 Pt2'
_chemical_formula_weight         1279.55
_chemical_name_common            mls_8_69_5
_chemical_name_systematic
;
 mls_8_69_5
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2013-03-26T17:10:34-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 91.256(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   22.313(4)
_cell_length_b                   8.9467(16)
_cell_length_c                   14.309(2)
_cell_measurement_reflns_used    317
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      3
_cell_volume                     2855.8(8)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.875
_diffrn_measured_fraction_theta_max 0.877
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.096
_diffrn_reflns_av_unetI/netI     0.0736
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            37539
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.69
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.936
_exptl_absorpt_correction_T_max  0.9077
_exptl_absorpt_correction_T_min  0.665
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1292
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.342
_refine_diff_density_min         -2.761
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4586
_refine_ls_number_restraints     93
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.1198
_refine_ls_R_factor_gt           0.0686
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+47.3943P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1013
_refine_ls_wR_factor_ref         0.1183
_reflns_number_gt                3023
_reflns_number_total             4586
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            om4003363_si_002.cif
_cod_data_source_block           mls_8_69_5_0ma
_cod_original_cell_volume        2855.9(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4081239