Electrophilic Substitution of (Diamine)tetrahydroxoplatinum(IV) with Carboxylic Anhydrides. Synthesis and Characterization of (Diamine)platinum(IV) Complexes of Mixed Carboxylates
Rita Song; Kwan Mook Kim; Sung Sil Lee; Youn Soo Sohn; Inorganic Chemistry 39 (2000) 3567–3571; doi:10.1021/ic9913886

data_4321249
_publ_section_title
;
 Electrophilic Substitution of (Diamine)tetrahydroxoplatinum(IV) with
 Carboxylic Anhydrides. Synthesis and Characterization of
 (Diamine)platinum(IV) Complexes of Mixed Carboxylates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3567
_journal_page_last               3571
_journal_paper_doi               10.1021/ic9913886
_journal_volume                  39
_journal_year                    2000
_chemical_formula_moiety         '[C6H10(NH2)2]Pt[OOCCF3][OOCCH3] 1/2C3H6O'
_chemical_formula_sum            'C15.5 H26 F3 N2 O8.5 Pt'
_chemical_formula_weight         628.47
_chemical_name_common            (dach)Pt(OOCCF3)(OOCCH3)3
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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                 102.33(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.279(3)
_cell_length_b                   20.516(4)
_cell_length_c                   16.732(6)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      9.52
_cell_measurement_theta_min      12.64
_cell_volume                     4789(2)
_computing_cell_refinement       CAD4-VAX
_computing_data_collection       CAD4-VAX
_computing_data_reduction        'SDP (Frenz, B. A., Enraf-Noinus, 1985)'
_computing_molecular_graphics    'Ortep3 for windows (Farrugia, L.J., 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.324
_diffrn_measured_fraction_theta_max 0.324
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       \w/2wq
_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  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0375
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            2939
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.77
_diffrn_standards_decay_%        2.1
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    5.925
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.8
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            pale_yellow
_exptl_crystal_density_diffrn    1.743
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.117
_refine_diff_density_min         -1.061
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     269
_refine_ls_number_reflns         2820
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0450
_refine_ls_shift/su_max          0.357
_refine_ls_shift/su_mean         0.038
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'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          0.1269
_refine_ls_wR_factor_ref         0.1278
_reflns_number_gt                2777
_reflns_number_total             2820
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9913886_2.cif
_cod_data_source_block           pt
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C15.50 H26 F3 N2 O8.50 Pt'
_cod_database_code               4321249