Long-range ordered magnet of a charge-transfer Ru2(4+)/TCNQ two-dimensional network compound.
Miyasaka, Hitoshi; Izawa, Toru; Takahashi, Nao; Yamashita, Masahiro; Dunbar, Kim R; Journal of the American Chemical Society 128 (2006) 11358–11359; doi:10.1021/ja063963s

data_4101582
_publ_section_title
;
 Long-range ordered magnet of a charge-transfer Ru2(4+)/TCNQ
 two-dimensional network compound.
;
_journal_issue                   35
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11358
_journal_page_last               11359
_journal_paper_doi               10.1021/ja063963s
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety         'C52 H34 F24 N4 O16 Ru4 '
_chemical_formula_sum            'C52 H34 F24 N4 O16 Ru4'
_chemical_formula_weight         1831.10
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 95.594(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   16.7809(8)
_cell_length_b                   20.8853(10)
_cell_length_c                   8.7101(4)
_cell_measurement_reflns_used    6031
_cell_measurement_temperature    118.1
_cell_measurement_theta_max      31.0
_cell_measurement_theta_min      3.2
_cell_volume                     3038.1(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.878
_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  0.016
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            13634
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         31.11
_exptl_absorpt_coefficient_mu    1.120
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_correction_T_min  0.723
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            greenishblue
_exptl_crystal_density_diffrn    2.001
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1788.00
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.74
_refine_diff_density_min         -1.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3205
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0048Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1523
_reflns_number_gt                3062
_reflns_number_total             3209
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja063963ssi20060606_082446.cif
_cod_data_source_block           '__Ru2TCNQ'
_cod_original_formula_sum        'C52 H34 F24 N4 O16 Ru4 '
_cod_database_code               4101582