Conducting Dimerized Cobalt Complexes with Tetrathiafulvalene Dithiolate Ligands
Emiko Fujiwara; Kazumasa Hosoya; Akiko Kobayashi; Hisashi Tanaka; Madoka Tokumoto; Yoshinori Okano; Hideki Fujiwara; Hayao Kobayashi; Yuichi Fujishiro; Eiji Nishibori; Masaki Takata; Makoto Sakata; Inorganic Chemistry 47 (2008) 863–874; doi:10.1021/ic701100r

data_4303998
_publ_section_title
;
Conducting Dimerized Cobalt Complexes with Tetrathiafulvalene Dithiolate
Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              863
_journal_page_last               874
_journal_paper_doi               10.1021/ic701100r
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C32 H48 Co N S12'
_chemical_formula_weight         890.39
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Tue Sep 16 12:39:29 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                111.14(2)
_cell_angle_beta                 103.37(2)
_cell_angle_gamma                102.36(3)
_cell_formula_units_Z            2
_cell_length_a                   11.955(4)
_cell_length_b                   13.452(5)
_cell_length_c                   15.042(3)
_cell_measurement_reflns_used    28
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      14.6
_cell_measurement_theta_min      13.8
_cell_volume                     2073.8(13)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.8878
_diffrn_measured_fraction_theta_max 0.8878
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.011
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            8651
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_exptl_absorpt_coefficient_mu    1.043
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.79
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     415
_refine_ls_number_reflns         4711
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.0425
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00000|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0441
_reflns_number_gt                4711
_reflns_number_total             8469
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ic701100r-file002.cif
_cod_data_source_block           (Bu4N)2[Co(dmdt)2]2
_cod_original_cell_volume        2073(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C32 H48 Co N S12 '
_cod_database_code               4303998