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Information card for entry 7201829
Preview
| Coordinates | 7201829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | perdeuteroalloxan |
|---|---|
| Chemical name | perdeuteroalloxan |
| Formula | C4 D2 N2 O4 |
| Calculated formula | C4 D2 N2 O4 |
| Title of publication | Alloxan—a new low-temperature phase determined by neutron powder diffraction |
| Authors of publication | Ibberson, Richard M.; Marshall, William G.; Budd, Laura E.; Parsons, Simon; Pulham, Colin R.; Spanswick, Christopher K. |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 5 |
| Pages of publication | 465 |
| a | 5.82141 ± 0.00004 Å |
| b | 5.8545 ± 0.00004 Å |
| c | 13.85255 ± 0.00009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 472.115 ± 0.006 Å3 |
| Cell temperature | 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| RFsqd | 0.04559 |
| Goodness-of-fit parameter for all reflections | 1.67 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation type | time-of-flightneutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180349 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/18. |
7201829.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201829.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201829.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
7201829.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7201829.cif |
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