Structure of an oxonium salt crystal complex
Simonsen, O.; Acta Crystallographica Section C 48 (1992) 1900–1902; doi:10.1107/S0108270192006449

data_2000574
_publ_contact_author
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     ? name
     ? institute
     ? department
     ? address
     ? city
     ? country
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_publ_section_title
;
 Structure of an oxonium salt crystal complex
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1900
_journal_page_last               1902
_journal_paper_doi               10.1107/S0108270192006449
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'H3 O +, C3 H3 N4 O4 -, C3 H4 N4 O3, H2 O'
_chemical_formula_sum            'C6 H12 N8 O9'
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         xtal3.0 ADDREF, SORTRF (Hall & Stewart, 1990) and
         Norrestam & Nielson (1982)
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_exptl_absorpt_coefficient_mu    0.147
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_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_density_meas      1.69(2)
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'flotation in a mixture of CCl~4~ and CH~2~BrCl'
_exptl_crystal_description       'Needle (cut)'
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 22 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        629.0(10)
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               2000574