Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2240175
Preview
| Coordinates | 2240175.cif |
|---|---|
| Structure factors | 2240175.hkl |
| Original IUCr paper | HTML |
| Common name | allylammonium oxalate |
|---|---|
| Chemical name | Bis(allylammonium) oxalate |
| Formula | C8 H16 N2 O4 |
| Calculated formula | C8 H16 N2 O4 |
| Title of publication | Crystal structure of bis(allylammonium) oxalate |
| Authors of publication | Dziuk, Błażej; Zarychta, Bartosz; Ejsmont, Krzysztof |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | o1229 - o1230 |
| a | 6.706 ± 0.0003 Å |
| b | 12.1364 ± 0.001 Å |
| c | 40.6017 ± 0.0016 Å |
| α | 90° |
| β | 93.969 ± 0.004° |
| γ | 90° |
| Cell volume | 3296.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0866 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1233 |
| Weighted residual factors for all reflections included in the refinement | 0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240175.cif 2240175.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240175.cif 2240175.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240175.cif 2240175.hkl |
| 126291 | 2014-11-06 | cif/ hkl/ Adding structures of 2240175 via cif-deposit CGI script. |
2240175.cif 2240175.hkl |
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.