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Information card for entry 7003254
Preview
| Coordinates | 7003254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C102 H166 O32 Si18 V2 |
|---|---|
| Calculated formula | C102 H166 O32 Si18 V2 |
| SMILES | [V]1(O[Si]2(O[Si@]3(C4CCCC4)O[Si@]4(C5CCCC5)O[Si](O[Si@@]5(C6CCCC6)O[Si](O4)(C4CCCC4)O[Si](C4CCCC4)(O3)O[Si@@](O2)(O5)C2CCCC2)(O[Si](c2ccccc2)(c2ccccc2)C)C2CCCC2)O[V](=O)(O[Si]2(O1)O[Si@@]1(C3CCCC3)O[Si@@]3(C4CCCC4)O[Si](O[Si@]4(C5CCCC5)O[Si](O3)(C3CCCC3)O[Si](C3CCCC3)(O1)O[Si@](C1CCCC1)(O2)O4)(C1CCCC1)O[Si](c1ccccc1)(c1ccccc1)C)OC(C)C)(OC(C)C)=O |
| Title of publication | V2O5/SiO2 surface inspired, silsesquioxane-derived oxovanadium complexes and their properties |
| Authors of publication | Ohde, Christian; Brandt, Marcus; Limberg, Christian; Döbler, Jens; Ziemer, Burckhard; Sauer, Joachim |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 3 |
| Pages of publication | 326 |
| a | 13.076 ± 0.004 Å |
| b | 14.748 ± 0.003 Å |
| c | 18.54 ± 0.005 Å |
| α | 77.43 ± 0.03° |
| β | 77.9 ± 0.03° |
| γ | 67.34 ± 0.03° |
| Cell volume | 3188.7 ± 1.6 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.174 |
| Residual factor for significantly intense reflections | 0.0948 |
| Weighted residual factors for significantly intense reflections | 0.2187 |
| Weighted residual factors for all reflections included in the refinement | 0.2591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.912 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7003254.cif |
| 179736 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/32. |
7003254.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003254.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003254.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003254.cif |
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Users of the data should acknowledge the original authors of the
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