5,5'-Bithiazole and 2,5'-Bithiazole
Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.; Acta Crystallographica Section C 51 (1995) 76–77; doi:10.1107/S0108270194002969

data_2010400
_publ_section_title
;
 5,5'-Bithiazole and 2,5'-Bithiazole
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              76
_journal_page_last               77
_journal_paper_doi               10.1107/S0108270194002969
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C6 H4 N2 S2'
_chemical_formula_sum            'C6 H4 N2 S2'
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_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   5.770(3)
_cell_length_b                   5.923(2)
_cell_length_c                   21.0560(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      16
_cell_measurement_theta_min      14
_cell_volume                     719.6(4)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            790
_diffrn_reflns_theta_max         24
_diffrn_standards_decay_%        <1
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_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.627
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
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_exptl_crystal_description       'Crystal shape ?'
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_refine_diff_density_max         0.35
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_refine_ls_goodness_of_fit_obs   2.3
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     91
_refine_ls_number_reflns         712
_refine_ls_R_factor_obs          0.041
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.054
_reflns_number_observed          712
_reflns_number_total             771
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            pa1078.cif
_cod_data_source_block           pa1078b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^' was changed to 'calc'.
New tag '_refine_ls_weighting_details' was created. The value of the
new tag was set to 'w = 1/\s^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        719.6(3)
_cod_database_code               2010400