Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4501412
Preview
| Coordinates | 4501412.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 O7 |
|---|---|
| Calculated formula | C3 O7 |
| Title of publication | Structure Determination from Powder X-ray Diffraction Data of a New Polymorph of a High-Density Organic Hydrate Material, with an Assessment of Hydrogen-Bond Disorder by Rietveld Refinement |
| Authors of publication | Lim, Gin Keat; Fujii, Kotaro; Harris, Kenneth D. M.; Apperley, David C. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 12 |
| Pages of publication | 5192 |
| a | 8.89282 ± 0.00013 Å |
| b | 9.74543 ± 0.00016 Å |
| c | 6.8513 ± 0.0001 Å |
| α | 107.106 ± 0.001° |
| β | 108.351 ± 0.0009° |
| γ | 85.6751 ± 0.0009° |
| Cell volume | 538.54 ± 0.015 Å3 |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179545 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/14. |
4501412.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501412.cif |
| 34894 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4501412 via cif-deposit CGI script. |
4501412.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.