Preparation and Reactivity of a Monomeric Octahedral Platinum(IV) Amido Complex
Colleen Munro-Leighton; Yuee Feng; Jubo Zhang; Nikki M. Alsop; T. Brent Gunnoe; Paul D. Boyle; Jeffrey L. Petersen; Inorganic Chemistry 47 (2008) 6124–6126; doi:10.1021/ic800843b

data_4305922
_publ_contact_author_address
;Department of Chemistry
North Carolina State University
Raleigh, NC  27695-8204
;
_publ_contact_author_email       brent_gunnoe@ncsu.edu
_publ_contact_author_fax         '(919) 515-8909'
_publ_contact_author_name        'T. Brent Gunnoe'
_publ_contact_author_phone       '(919) 513-3704'
_publ_section_title
;
Preparation and Reactivity of a Monomeric Octahedral Platinum(IV) Amido
Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6124
_journal_page_last               6126
_journal_paper_doi               10.1021/ic800843b
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C23 H26 F3 N5 O3 Pt S'
_chemical_formula_weight         704.64
_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                 92.6825(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2180(4)
_cell_length_b                   14.7175(5)
_cell_length_c                   16.5683(6)
_cell_measurement_reflns_used    9183
_cell_measurement_temperature    110
_cell_measurement_theta_max      35.91
_cell_measurement_theta_min      2.68
_cell_volume                     2488.87(16)
_computing_cell_refinement       SAINT
_computing_data_collection       Apex2
_computing_data_reduction        SAINT
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_computing_structure_refinement  XL
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker-Nonius X8 Apex2'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_sigmaI/netI    0.0347
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            121350
_diffrn_reflns_theta_full        37.16
_diffrn_reflns_theta_max         37.16
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    5.780
_exptl_absorpt_correction_T_max  0.6549
_exptl_absorpt_correction_T_min  0.2760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.881
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1376
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.426
_refine_diff_density_min         -1.150
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         12664
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0239
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0163P)^2^+0.8517P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0418
_refine_ls_wR_factor_ref         0.0449
_reflns_number_gt                10147
_reflns_number_total             12664
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800843b-file003_3.cif
_cod_data_source_block           '[(NCN)PtMe2(NH2Ph)]OTf_(2)'
_cod_original_cell_volume        2488.87(18)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4305922