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Information card for entry 2102816
Preview
Coordinates | 2102816.cif |
---|---|
Original IUCr paper | HTML |
Formula | C2 H2 Cs2 O5 |
---|---|
Calculated formula | C2 H2 Cs2 O5 |
SMILES | C(=O)([O-])C(=O)[O-].O.[Cs+].[Cs+] |
Title of publication | Rapid structure determination of the hydrogen-containing compound Cs~2~C~2~O~4~·H~2~O by joint single-crystal X-ray and powder neutron diffraction |
Authors of publication | Weller, Mark T.; Henry, Paul F.; Light, Mark E. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 3 |
Pages of publication | 426 - 432 |
a | 10.1127 ± 0.0005 Å |
b | 6.6535 ± 0.0004 Å |
c | 11.3257 ± 0.0006 Å |
α | 90° |
β | 107.19 ± 0.004° |
γ | 90° |
Cell volume | 728 ± 0.08 Å3 |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Goodness-of-fit parameter for all reflections | 1.44 |
Diffraction radiation wavelength | 1.36 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176768 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2102816.cif |
91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2102816.cif |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2102816.cif |
5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2102816.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2102816.cif |
853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
2102816.cif |
340 | 2008-04-05 | Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition. |
2102816.cif |
326 | 2008-04-03 | Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site. |
2102816.cif |
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Users of the data should acknowledge the original authors of the
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