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Information card for entry 8000022
Preview
| Coordinates | 8000022.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H14 O5 V |
|---|---|
| Calculated formula | C10 H14 O5 V |
| SMILES | [V]12(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)=O |
| Title of publication | X-ray Analysis of Bond Elongation in VO(acac)2 at the Excited State |
| Authors of publication | Manabu Hoshino; Akiko Sekine; Hidehiro Uekusa; Yuji Ohashi |
| Journal of publication | Chemistry Letters |
| Year of publication | 2005 |
| Journal volume | 34 |
| Journal issue | 9 |
| Pages of publication | 1228 |
| a | 7.3721 ± 0.0002 Å |
| b | 8.1685 ± 0.0002 Å |
| c | 11.211 ± 0.0003 Å |
| α | 72.932 ± 0.001° |
| β | 72.199 ± 0.001° |
| γ | 66.924 ± 0.001° |
| Cell volume | 579.62 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.031 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.