Synthesis and Electrochemistry of Organometallic Cobaltadithiaazulenes
Mitsushiro Nomura; Fumiaki Imamura; Nguyen Ba Tuyet Nga; Chikako Fujita-Takayama; Toru Sugiyama; Masatsugu Kajitani; Inorganic Chemistry 51 (2012) 10695–10703; doi:10.1021/ic300993a

data_4330610
_publ_section_title
;
 Synthesis and Electrochemistry of Organometallic Cobaltadithiaazulenes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10695
_journal_page_last               10703
_journal_paper_doi               10.1021/ic300993a
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C12 H10 Co I S2 '
_chemical_formula_sum            'C12 H10 Co I S2'
_chemical_formula_weight         404.17
_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'
_cell_angle_alpha                73.162(11)
_cell_angle_beta                 75.546(11)
_cell_angle_gamma                73.341(11)
_cell_formula_units_Z            4
_cell_length_a                   8.005(2)
_cell_length_b                   12.947(3)
_cell_length_c                   13.814(4)
_cell_measurement_reflns_used    3685
_cell_measurement_temperature    298.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1291.0(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      298
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10074
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    4.013
_exptl_absorpt_correction_T_max  0.818
_exptl_absorpt_correction_T_min  0.628
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.079
_exptl_crystal_description       platelet
_exptl_crystal_F_000             776.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.04
_refine_diff_density_min         -1.20
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     309
_refine_ls_number_reflns         4287
_refine_ls_R_factor_gt           0.0349
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 0.3000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0928
_reflns_number_gt                4264
_reflns_number_total             5651
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic300993a_si_001.cif
_cod_data_source_block           '__CpCo(I)(SST)'
_cod_original_formula_sum        'C12 H10 Co I S2 '
_cod_database_code               4330610