1:2 Complexes of chloranilic acid with pyrimidine and pyrazine
Ishida, Hiroyuki; Kashino, Setsuo; Acta Crystallographica Section C 55 (1999) 1714–1717; doi:10.1107/S010827019900709X

data_2009044
_publ_section_title
;
 1:2 Complexes of chloranilic acid with pyrimidine and pyrazine
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1714
_journal_page_last               1717
_journal_paper_doi               10.1107/S010827019900709X
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         '2C4 H4 N2, C6 H2 Cl2 O4'
_chemical_formula_sum            'C14 H10 Cl2 N4 O4'
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_cell_angle_gamma                90
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_cell_length_c                   9.551(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      11.4
_cell_measurement_theta_min      10.9
_cell_volume                     748.0(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
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'MSC/AFC Diffractometer Control (Molecular Structure Corporation, 1990)'
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'TEXSAN for Windows (Molecular Structure Corporation, 1997)'
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;
SIR92 (Altomare et al., 1993)
;
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
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;
\y scans (North et al., 1968)
;
_exptl_crystal_colour            'dark brown'
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_refine_ls_shift/su_mean         0.0003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.091
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_reflns_threshold_expression     I>2\s(I)
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        747.9(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009044