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_4321248
_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[OOCC(CH3)]3[OOCCH3]'
_chemical_formula_sum            'C23 H44 N2 O8 Pt'
_chemical_formula_weight         671.69
_chemical_name_common            (dach)Pt(OPiv)3(OAc)
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.52(3)
_cell_angle_beta                 90.13(3)
_cell_angle_gamma                110.76(3)
_cell_formula_units_Z            2
_cell_length_a                   9.538(3)
_cell_length_b                   10.542(3)
_cell_length_c                   15.728(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1424.3(8)
_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 0.918
_diffrn_measured_fraction_theta_max 0.918
_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  0.0267
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            4926
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    4.970
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             676
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         4.158
_refine_diff_density_min         -1.365
_refine_diff_density_rms         0.186
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4623
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          1.034
_refine_ls_shift/su_mean         0.191
_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          0.1203
_refine_ls_wR_factor_ref         0.1209
_reflns_number_gt                4601
_reflns_number_total             4623
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9913886_1.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_cell_volume        1424.3(7)
_cod_original_sg_symbol_H-M      'P 1'
_cod_database_code               4321248