Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7214128
Preview
| Coordinates | 7214128.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (pa)2(ox) |
|---|---|
| Chemical name | 1-propylammonium oxalate |
| Formula | C8 H20 N2 O4 |
| Calculated formula | C8 H20 N2 O4 |
| SMILES | [NH3+]CCC.CCC[NH3+].C(=O)(C(=O)[O-])[O-] |
| Title of publication | Mimicking mineral neogenesis for the clean synthesis of metal‒organic materials from mineral feedstocks: coordination polymers, MOFs and metal oxide separation |
| Authors of publication | Qi, Feng; Stein, Robin S.; Friščić, Tomislav |
| Journal of publication | Green Chemistry |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 1 |
| Pages of publication | 121 |
| a | 11.0906 ± 0.0003 Å |
| b | 14.6981 ± 0.0005 Å |
| c | 7.6029 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1239.35 ± 0.14 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1177 |
| Residual factor for significantly intense reflections | 0.0807 |
| Weighted residual factors for significantly intense reflections | 0.2215 |
| Weighted residual factors for all reflections included in the refinement | 0.2622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180472 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/41. |
7214128.cif |
| 105585 | 2014-03-12 | cif/ Adding structures of 7214128 via cif-deposit CGI script. |
7214128.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.