Structure of (η^5^-cyclopentadienyl)[1-(2-quinoxalinyl)ethene-1,2-dithiolato]cobalt(III), [(η^5^-C~5~H~5~)Co{S~2~C~2~H(2-quinoxalinyl)}]
Armstrong, E. M.; Austerberry, M. S.; Beddoes, R. L.; Helliwell, M.; Joule, J. A.; Garner, C. D.; Acta Crystallographica Section C 49 (1993) 1764–1766; doi:10.1107/S0108270193003452

data_2001299
_publ_section_title
;Structure of
 (\h^5^-cyclopentadienyl)[1-(2-quinoxalinyl)ethene-1,2-dithiolato]cobalt(III),
 [(\h^5^-C~5~H~5~)Co{S~2~C~2~H(2-quinoxalinyl)}]
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1764
_journal_page_last               1766
_journal_paper_doi               10.1107/S0108270193003452
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C15 H11 Co N2 S2'
_chemical_formula_weight         342.32
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           'IntTabIV (Cromer & Waber, 1974)'
_cell_angle_alpha                90
_cell_angle_beta                 112.26(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.824(7)
_cell_length_b                   6.178(8)
_cell_length_c                   17.844(6)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    294
_cell_measurement_theta_max      10.1
_cell_measurement_theta_min      4.5
_cell_volume                     1410(2)
_diffrn_measurement_device       'Rigaku AFC-6S'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            4651
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        -3.14
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.49
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.80
_exptl_absorpt_correction_type   'empirical (\y scans)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_description       tabular
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.47
_refine_diff_density_min         -0.31
_refine_ls_goodness_of_fit_obs   1.33
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     225
_refine_ls_number_reflns         1806
_refine_ls_R_factor_obs          0.043
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^/\s^2^(F~o~^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.043
_reflns_number_observed          1806
_reflns_number_total             4485
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1042.cif
_cod_data_source_block           mu1042_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4F~o~^2^/\s^2^(F~o~^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
4F~o~^2^/\s^2^(F~o~^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C15 H11 Co1 N2 S2'
_cod_database_code               2001299