Speciation of Platinum(IV) in Nitric Acid Solutions
Danila Vasilchenko; Sergey Tkachev; Iraida Baidina; Sergey Korenev; Inorganic Chemistry 52 (2013) 10532–10541; doi:10.1021/ic401499j

data_4336044
_publ_contact_author_address
;Nikolaev Institute of Inorganic Chemistry,
SB Russian Academy of Sciences,
Akad. Lavrentiev prospekt 3,
Novosibirsk 90,
630090 Russia
;
_publ_contact_author_email       vasilchenko@niic.nsc.ru
_publ_contact_author_fax         7(383)3309489
_publ_contact_author_name        'Vasilchenko Danila Bor.'
_publ_contact_author_phone       7(383)3391633
_publ_section_title
;
 Speciation of Platinum(IV) in Nitric Acid Solutions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10532
_journal_page_last               10541
_journal_paper_doi               10.1021/ic401499j
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C4 H12 N, 0.5(H2 N8 O26 Pt2)'
_chemical_formula_sum            'C4 H13 N5 O13 Pt'
_chemical_formula_weight         534.28
_chemical_properties_physical    moisture-sensitive
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.1690(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.6907(3)
_cell_length_b                   14.8950(5)
_cell_length_c                   13.1091(4)
_cell_measurement_reflns_used    6050
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.96
_cell_measurement_theta_min      2.73
_cell_volume                     1456.00(9)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'Apex2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'local programs'
_computing_publication_material  'local programs'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Nonius X8Apex CCD area-detector'
_diffrn_measurement_method       '\f scans'
_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  0.0206
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            12151
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         31.97
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    9.718
_exptl_absorpt_correction_T_max  0.6972
_exptl_absorpt_correction_T_min  0.4750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    2.437
_exptl_crystal_description       prism
_exptl_crystal_F_000             1016
_exptl_crystal_recrystallization_method 'nitric acid'
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.042
_refine_diff_density_min         -1.494
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         5034
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.0259
_refine_ls_R_factor_gt           0.0194
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0222P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0407
_refine_ls_wR_factor_ref         0.0419
_reflns_number_gt                4353
_reflns_number_total             5034
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401499j_si_001.cif
_cod_data_source_block           v
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4336044