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Information card for entry 2232984
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| Coordinates | 2232984.cif |
|---|---|
| Structure factors | 2232984.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Aminopyridinium <i>trans</i>-diaquadioxalatochromate(III) monohydrate |
|---|---|
| Formula | C9 H13 Cr N2 O11 |
| Calculated formula | C9 H13 Cr N2 O11 |
| SMILES | [Cr]12(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)([OH2])[OH2].c1[nH+]ccc(N)c1.O |
| Title of publication | 4-Aminopyridinium <i>trans</i>-diaquadioxalatochromate(III) monohydrate |
| Authors of publication | Chérif, Ichraf; Abdelhak, Jawher; Zid, Mohamed Faouzi; Driss, Ahmed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1648 - m1649 |
| a | 21.102 ± 0.004 Å |
| b | 9.487 ± 0.003 Å |
| c | 7.226 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1446.6 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0312 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.063 |
| Weighted residual factors for all reflections included in the refinement | 0.0659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181251 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/29. |
2232984.cif 2232984.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232984.cif 2232984.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232984.cif 2232984.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232984.cif 2232984.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232984.cif 2232984.hkl |
| 31877 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232984 via cif-deposit CGI script. |
2232984.cif |
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Users of the data should acknowledge the original authors of the
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