Synthesis, Structure, and Dissociation Equilibrium of [Co(η5-C5H5)(Se2C6H4)]2, a Novel Metalladiselenolene Complex
Satoru Habe; Teppei Yamada; Takuya Nankawa; Jun Mizutani; Masaki Murata; Hiroshi Nishihara; Inorganic Chemistry 42 (2003) 1952–1955; doi:10.1021/ic025865n

data_4313382
_publ_section_title
;
 Synthesis, Structure, and Dissociation Equilibrium of
 [Co(\h5-C5H5)(Se2C6H4)]2, a Novel Metalladiselenolene Complex
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1952
_journal_page_last               1955
_journal_paper_doi               10.1021/ic025865n
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C11 H9 Co Se2 '
_chemical_formula_sum            'C11 H9 Co Se2'
_chemical_formula_weight         358.05
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.491(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3346(5)
_cell_length_b                   11.6477(9)
_cell_length_c                   10.2179(5)
_cell_measurement_reflns_used    3206
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      1.9
_cell_volume                     1033.72(11)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.32
_diffrn_measured_fraction_theta_full 0.9953
_diffrn_measured_fraction_theta_max 0.9953
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7798
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_exptl_absorpt_coefficient_mu    8.655
_exptl_absorpt_correction_T_max  0.000
_exptl_absorpt_correction_T_min  0.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.300
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.00
_refine_diff_density_min         -0.95
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.806
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     163
_refine_ls_number_reflns         1805
_refine_ls_R_factor_gt           0.0260
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0720
_reflns_number_gt                1421
_reflns_number_total             1902
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic025865nsi20021217_090428.cif
_cod_data_source_block           '__1'
_cod_original_cell_volume        1033.72(10)
_cod_original_formula_sum        'C11 H9 Co Se2 '
_cod_database_code               4313382