Magnetic/Conducting Bifunctionality due to π/σ-Conjugated Functional Moieties in a Stacked Ferrimagnetic Chain
Hitoshi Miyasaka; Yuichiro Asai; Natsuko Motokawa; Kazuya Kubo; Masahiro Yamashita; Inorganic Chemistry 49 (2010) 9116–9118; doi:10.1021/ic101564x

data_4316870
_publ_section_title
;
 Magnetic/Conducting Bifunctionality due to \p/\s-Conjugated Functional
 Moieties in a Stacked Ferrimagnetic Chain
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9116
_journal_page_last               9118
_journal_paper_doi               10.1021/ic101564x
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C22 H22 Cl5 N4 O8 Pt Ru2 S4 '
_chemical_formula_sum            'C22 H22 Cl5 N4 O8 Pt Ru2 S4'
_chemical_formula_weight         1173.17
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.076(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   25.336(5)
_cell_length_b                   16.260(3)
_cell_length_c                   9.0323(17)
_cell_measurement_reflns_used    5007
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.4
_cell_volume                     3711.6(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      93.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.760
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            12406
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_exptl_absorpt_coefficient_mu    5.179
_exptl_absorpt_correction_T_max  0.696
_exptl_absorpt_correction_T_min  0.537
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            darkgreen
_exptl_crystal_density_diffrn    2.099
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2244.00
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.07
_refine_diff_density_max         4.11
_refine_diff_density_min         -1.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     219
_refine_ls_number_reflns         3246
_refine_ls_R_factor_gt           0.0472
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0573P)^2^+53.3802P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1187
_reflns_number_gt                2902
_reflns_number_total             3246
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic101564x_si_002.cif
_cod_data_source_block           '__Ru2-EtCO2-Pt-mnt'
_cod_original_cell_volume        3711.6(13)
_cod_original_formula_sum        'C22 H22 Cl5 N4 O8 Pt Ru2 S4 '
_cod_database_code               4316870