Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2232011
Preview
| Coordinates | 2232011.cif |
|---|---|
| Structure factors | 2232011.hkl |
| Original IUCr paper | HTML |
| Common name | rubidium 5-nitrosalicylate monohydrate |
|---|---|
| Chemical name | Poly[aqua(μ-2-hydroxy-5-nitrobenzoato- κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^)rubidium] |
| Formula | C7 H6 N O6 Rb |
| Calculated formula | C7 H6 N O6 Rb |
| SMILES | [Rb+].O.Oc1c(cc(N(=O)=O)cc1)C(=O)[O-] |
| Title of publication | Poly[aqua(μ~3~-2-hydroxy-5-nitrobenzoato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^)rubidium] |
| Authors of publication | Smith, Graham; Wermuth, Urs D.; Williams, Michael L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1400 |
| a | 11.9738 ± 0.0005 Å |
| b | 12.023 ± 0.0004 Å |
| c | 6.9571 ± 0.0003 Å |
| α | 90° |
| β | 105.401 ± 0.004° |
| γ | 90° |
| Cell volume | 965.59 ± 0.07 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0587 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1762 |
| Weighted residual factors for all reflections included in the refinement | 0.1805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181242 (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 2/23/20. |
2232011.cif 2232011.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. |
2232011.cif 2232011.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232011.cif 2232011.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. | 2232011.cif 2232011.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232011.cif 2232011.hkl |
| 29300 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232011 via cif-deposit CGI script. |
2232011.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.