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Information card for entry 7014892
Preview
| Coordinates | 7014892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C8 H10 O4 |
|---|---|
| Calculated formula | C8 H10 O4 |
| SMILES | O1C(O)(C(=O)C(=C1C)C(=O)C)C |
| Title of publication | The synergistic effect of [WZn(VO)2(ZnW9O34)2]12- cores and peripheral metal sites in catalytic oxidative cyclization of acetylacetone. |
| Authors of publication | Shi, Lian-Xu; Zhang, Xian-Wei; Wu, Chuan-De |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 4 |
| Pages of publication | 779 - 781 |
| a | 8.126 ± 0.0012 Å |
| b | 13.048 ± 0.002 Å |
| c | 8.621 ± 0.0015 Å |
| α | 90° |
| β | 113.676 ± 0.015° |
| γ | 90° |
| Cell volume | 837.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0726 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1211 |
| Weighted residual factors for all reflections included in the refinement | 0.1342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7014892.cif |
| 179852 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/48. |
7014892.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014892.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014892.cif |
| 14877 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014891, 7014892, 7014893, 7014894, 7014895 via cif-deposit CGI script. |
7014892.cif |
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Users of the data should acknowledge the original authors of the
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