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Information card for entry 1518163
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| Coordinates | 1518163.cif |
|---|
| Formula | C6 H18 Cr N3 O15 |
|---|---|
| Calculated formula | C6 H16 Cr N3 O14 |
| SMILES | [Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.O.O.[NH4+].[NH4+].[NH4+] |
| Title of publication | Etude cristallochimique de trisoxalato-metallates (III) de cations monovalents. I. Cas de (NH4)3 Cr(C2O4)3, 3H2O |
| Authors of publication | Merrachi, El Houssine; Mentzen, Bernard, F.; Chassagneux, Fernand |
| Journal of publication | Revue de Chimie Minerale |
| Year of publication | 1986 |
| Journal volume | 23 |
| Pages of publication | 329 - 342 |
| a | 7.857 ± 0.001 Å |
| b | 10.667 ± 0.002 Å |
| c | 10.694 ± 0.002 Å |
| α | 83.27 ± 0.01° |
| β | 70.06 ± 0.01° |
| γ | 70.54 ± 0.01° |
| Cell volume | 794.4 ± 0.2 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0608 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186596 (current) | 2016-09-16 | cif/1/ Adding attached hydrogens to N and O atoms. |
1518163.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518163.cif |
| 126168 | 2014-11-03 | cif/ Adding structures of 1518163 via cif-deposit CGI script. |
1518163.cif |
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Users of the data should acknowledge the original authors of the
structural data.