Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7201777
Preview
| Coordinates | 7201777.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cyclotrimethylene-trinitramine |
|---|---|
| Chemical name | cyclotrimethylene-trinitramine |
| Formula | C3 D6 N6 O6 |
| Calculated formula | C3 D6 N6 O6 |
| Title of publication | Explosives under pressure—the crystal structure of γ-RDX as determined by high-pressure X-ray and neutron diffraction |
| Authors of publication | Davidson, Alistair J.; Oswald, Iain D. H.; Francis, Duncan J.; Lennie, Alistair R.; Marshall, William G.; Millar, David I. A.; Pulham, Colin R.; Warren, John E.; Cumming, Adam S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 2 |
| Pages of publication | 162 |
| a | 12.6319 ± 0.0015 Å |
| b | 9.5554 ± 0.0014 Å |
| c | 11.0036 ± 0.0022 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1328.2 ± 0.4 Å3 |
| Cell temperature | 293 K |
| Cell measurement pressure | 4780000 kPa |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7201777.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7201777.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201777.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201777.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. |
7201777.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. | 7201777.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.