A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine)
Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro; Acta Crystallographica Section C 69 (2013) 146–149; doi:10.1107/S0108270113000541

data_2018800
_publ_section_title
;
 A one-dimensional platinum mixed-valence complex with bridging
 thiocyanate S atoms:
 [[Pt^II^(en)~2~](\m-SCN)[Pt^IV^(en)~2~](\m-SCN)](ClO~4~)~4~ (en is
 ethane-1,2-diamine)
;
_journal_coeditor_code           WQ3023
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              146
_journal_page_last               149
_journal_paper_doi               10.1107/S0108270113000541
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Pt2 (N C S)2 (C2 H8 N2)4] (Cl O4)4'
_chemical_formula_moiety         'C10 H32 N10 Pt2 S2 4+, 4(Cl O4 -)'
_chemical_formula_sum            'C10 H32 Cl4 N10 O16 Pt2 S2'
_chemical_formula_weight         1144.56
_chemical_name_systematic
;
<i>catena</i>-Poly[[[bis(ethane-1,2-diamine-
\k^2^<i>N</i>,<i>N</i>')platinum(II)]-\m-thiocyanato-\k^2^<i>S</i>:<i>S</i>-
[bis(ethane-1,2-diamine-\k^2^<i>N</i>,<i>N</i>')platinum(IV)]-\m-
thiocyanato-\k^2^<i>S</i>:<i>S</i>] tetrakis(perchlorate)]
;
_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   difmap
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                104.944(4)
_cell_angle_beta                 91.574(4)
_cell_angle_gamma                113.765(4)
_cell_formula_units_Z            1
_cell_length_a                   9.0535(13)
_cell_length_b                   9.6033(14)
_cell_length_c                   9.6034(14)
_cell_measurement_reflns_used    7324
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.725
_cell_measurement_theta_min      3.08
_cell_volume                     730.11(19)
_computing_cell_refinement       'CrystalClear (Rigaku, 2008)'
_computing_data_collection       'CrystalClear (Rigaku, 2008)'
_computing_data_reduction
;
CrystalClear (Rigaku, 2008) and SORTAV (Blessing, 1995)
;
_computing_molecular_graphics
;
PLATON (Spek, 2009) and Mercury (Macrae <i>et al.</i>, 2008)
;
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 6.85
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'fixed \C-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku SCX-MINI'
_diffrn_measurement_method       '\w oscillation scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7690
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    10.167
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5652
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(REQAB; Rigaku, 1998)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.603
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             546
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.27
_refine_diff_density_max         1.202
_refine_diff_density_min         -2.431
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.175
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     202
_refine_ls_number_reflns         3333
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.175
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0232P)^2^+0.9044P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0698
_refine_ls_wR_factor_ref         0.0718
_reflns_number_gt                3014
_reflns_number_total             3333
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wq3023.cif
_cod_data_source_block           I
_cod_original_cell_volume        730.11(18)
_cod_database_code               2018800
_cod_database_fobs_code          2018800