Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional Networks by Tuning the Electron Affinity of TCNQ Units: A Route to Synergistic Magnetic/Conducting Materials
Hitoshi Miyasaka; Natsuko Motokawa; Satoshi Matsunaga; Masahiro Yamashita; Kunihisa Sugimoto; Tatsuya Mori; Naoki Toyota; Kim R. Dunbar; Journal of the American Chemical Society 132 (2010) 1532–1544; doi:10.1021/ja909489s

data_4101861
_publ_section_title
;
 Control of Charge Transfer in a Series of Ru2II,II/TCNQ Two-Dimensional
 Networks by Tuning the Electron Affinity of TCNQ Units: A Route to
 Synergistic Magnetic/Conducting Materials
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1532
_journal_page_last               1544
_journal_paper_doi               10.1021/ja909489s
_journal_volume                  132
_journal_year                    2010
_chemical_formula_moiety         'C38 H16 Br2 Cl4 F24 N4 O16 Ru4 '
_chemical_formula_sum            'C38 H16 Br2 Cl4 F24 N4 O16 Ru4'
_chemical_formula_weight         1946.42
_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                 99.986(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   20.058(2)
_cell_length_b                   20.031(2)
_cell_length_c                   8.5425(10)
_cell_measurement_reflns_used    5434
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      25.6
_cell_measurement_theta_min      2.4
_cell_volume                     3380.2(6)
_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      193.1
_diffrn_detector_area_resol_mean 7.14
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5121
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.97
_exptl_absorpt_coefficient_mu    2.344
_exptl_absorpt_correction_T_max  0.954
_exptl_absorpt_correction_T_min  0.954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.912
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             1860.00
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.93
_refine_diff_density_min         -0.89
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     231
_refine_ls_number_reflns         5127
_refine_ls_R_factor_gt           0.1119
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1319P)^2^+31.9189P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2893
_reflns_number_gt                3452
_reflns_number_total             0
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja909489s_si_003.cif
_cod_data_source_block           '_Ru-CF3-TCNQBr2-Twin'
_cod_original_cell_volume        3380.3(6)
_cod_original_formula_sum        'C38 H16 Br2 Cl4 F24 N4 O16 Ru4 '
_cod_database_code               4101861