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CIF Information Card
Information card for 2015269
2015268 << 2015269 >> 2015270Preview
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Coordinates |
2015269.cif |
|
Structure factors |
2015269.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | strontium ibuprofenate hydrate |
| Chemical name | poly[diaquabis[\m-2-(4-isobutylphenyl)propionato]strontium(II)] |
| Formula | - C26 H38 O6 Sr - |
| Calculated formula | - C26 H38 O6 Sr - |
| Title of publication | Strontium diibuprofenate dihydrate, strontium malonate sesquihydrate, strontium diascorbate dihydrate and strontium 2-oxidobenzoate hydrate at 120 K |
| Authors of publication | Kenny Stahl; Jens E.T. Andersen; Stephan Christgau |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | m144 - m149 |
| a | 7.9116 ± 0.0007 Å |
| b | 10.487 ± 0.001 Å |
| c | 18.2493 ± 0.0017 Å |
| α | 86.088 ± 0.002° |
| β | 79.784 ± 0.002° |
| γ | 70.605 ± 0.002° |
| Cell volume | 1405.5 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.1116 |
| Residual factor for observed reflections | 0.0581 |
| Weighted residual factors for the observed reflections | 0.1253 |
| Weighted residual factors for all reflections included in the refinement | 0.145 |
| Goodness-of-fit parameter for observed reflections | 0.982 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |