Cobaltocenium bis[(4,5-dimercapto-<i>S</i>^4^,<i>S</i>^5^)-1,3-dithiole-2-thionato]nickelate
Fang, Q.; You, X.-Z.; Cai, J.-H.; He, M.-Y.; Acta Crystallographica Section C 49 (1993) 1347–1350; doi:10.1107/S0108270193000332

data_2001532
_publ_section_title
;Cobaltocenium
 bis[(4,5-dimercapto-<i>S</i>^4^,<i>S</i>^5^)-1,3-dithiole-2-thionato]nickelate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1347
_journal_page_last               1350
_journal_paper_doi               10.1107/S0108270193000332
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C16 H10 Co Ni S10'
_chemical_formula_weight         640.54
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                100.60(2)
_cell_angle_beta                 96.02(3)
_cell_angle_gamma                76.01(3)
_cell_formula_units_Z            8
_cell_length_a                   19.347(9)
_cell_length_b                   25.289(7)
_cell_length_c                   9.698(3)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296
_cell_measurement_theta_max      10
_cell_measurement_theta_min      5
_cell_volume                     4517(3)
_diffrn_measurement_device       'Rigaku AFC-5'
_diffrn_measurement_method
;\w/2\q scans, \w-scan width (0.45+0.35tan\q)\%, scan speed 8\%
min^-1^
;
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12675
_diffrn_reflns_theta_max         46.0
_diffrn_standards_decay_%        <5.4
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.47
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.570
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'blackish green'
_exptl_crystal_density_diffrn    1.88
_exptl_crystal_density_meas      1.89
_exptl_crystal_density_method    flotation
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.69
_refine_diff_density_min         -0.50
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.32
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     799
_refine_ls_number_reflns         6490
_refine_ls_R_factor_obs          0.047
_refine_ls_shift/esd_max         1.01
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.062
_reflns_number_observed          6490
_reflns_number_total             12675
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            li1014.cif
_cod_data_source_block           li1014_structure_1_of_1
_cod_original_formula_sum        'C16 H10 Co1 Ni1 S10'
_cod_database_code               2001532