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Information card for entry 2239508
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| Coordinates | 2239508.cif |
|---|---|
| Structure factors | 2239508.hkl |
| Original IUCr paper | HTML |
| Common name | rubidium 4-nitroanthranilate monohydrate |
|---|---|
| Chemical name | Poly[bis(μ-2-amino-4-nitrobenzoato)di-μ-aqua-dirubidium] |
| Formula | C7 H7 N2 O5 Rb |
| Calculated formula | C7 H7 N2 O5 Rb |
| SMILES | [Rb+].O.O=C([O-])c1c(N)cc(N(=O)=O)cc1 |
| Title of publication | Poly[bis(μ-2-amino-4-nitrobenzoato)di-μ-aqua-dirubidium] |
| Authors of publication | Smith, Graham |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | m192 - m193 |
| a | 15.2938 ± 0.0009 Å |
| b | 6.8601 ± 0.0003 Å |
| c | 17.8075 ± 0.001 Å |
| α | 90° |
| β | 99.996 ± 0.005° |
| γ | 90° |
| Cell volume | 1839.95 ± 0.17 Å3 |
| Cell temperature | 200 ± 1 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0724 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223448 (current) | 2019-11-07 | cif/2 Fixing Z values and formulae |
2239508.cif 2239508.hkl |
| 181895 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239508.cif 2239508.hkl |
| 181314 | 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 2/23/95. |
2239508.cif 2239508.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. |
2239508.cif 2239508.hkl |
| 112425 | 2014-05-01 | cif/ hkl/ Adding structures of 2239508 via cif-deposit CGI script. |
2239508.cif 2239508.hkl |
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Users of the data should acknowledge the original authors of the
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