A one-dimensional Cl-bridged Pt^II/IV^ mixed-valence complex, <i>catena</i>-poly[[bis(ethylenediamine)platinum(II)-μ-chloro-bis(ethylenediamine)platinum(IV)-μ-chloro] tetrakis(hydrogensulfate)]
Matsushita, Nobuyuki; Acta Crystallographica Section E 59 (2003) m26–m28; doi:10.1107/S1600536802022584

data_2202099
_publ_section_title
;A one-dimensional Cl-bridged Pt^II/IV^ mixed-valence complex,
 <i>catena</i>-poly[[bis(ethylenediamine)platinum(II)-\m-chloro-bis(ethylenediamine)platinum(IV)-\m-chloro]
 tetrakis(hydrogensulfate)]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m26
_journal_page_last               m28
_journal_paper_doi               10.1107/S1600536802022584
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Pt2 Cl2 (C2 H8 N2)4] (H S O4)4'
_chemical_formula_moiety
'C4 H16 N4 Pt 2+, C4 H16 Cl2 N4 Pt 2+, 4(H O4 S 1-)'
_chemical_formula_sum            'C8 H36 Cl2 N8 O16 Pt2 S4'
_chemical_formula_weight         1089.77
_chemical_name_systematic
;catena-Poly[bis(ethylenediamine)platinum(II,IV)-\m-chloro
 bis(hydrogensulfate)]
;
_space_group_IT_number           72
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.2610(10)
_cell_length_b                   14.422(2)
_cell_length_c                   10.9290(10)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    295
_cell_measurement_theta_max      14.64
_cell_measurement_theta_min      10.01
_cell_volume                     1459.7(3)
_computing_cell_refinement       'AFC Diffractometer Control Software'
_computing_data_collection
'AFC Diffractometer Control Software (Rigaku, 1987)'
_computing_data_reduction        'a handmade program'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'UNICS3 (Sakurai & Kobayashi, 1979)'
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-5S'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            3059
_diffrn_reflns_theta_full        32.50
_diffrn_reflns_theta_max         32.50
_diffrn_reflns_theta_min         1.5
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    10.12
_exptl_absorpt_correction_T_max  0.7017
_exptl_absorpt_correction_T_min  0.1868
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(Coppens et al., 1965)'
_exptl_crystal_colour            'intense red'
_exptl_crystal_density_diffrn    2.48
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.506
_refine_diff_density_min         -1.185
_refine_ls_extinction_coef       0.0054(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     68
_refine_ls_number_reflns         975
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0236
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0266P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0479
_refine_ls_wR_factor_ref         0.0479
_reflns_number_gt                975
_reflns_number_total             1387
_reflns_threshold_expression     F>3\s(F)
_cod_data_source_file            ob6201.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not
given.

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2202099
_cod_database_fobs_code          2202099