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Information card for entry 7015369
Preview
| Coordinates | 7015369.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | vanadium complex |
|---|---|
| Chemical name | vanadium complex |
| Formula | C48 H88 O8 V2 |
| Calculated formula | C48 H88 O8 V2 |
| SMILES | C1(CCCCC1)O[V]1(OC2CCCCC2)([O](C2CCCCC2)[V](OC2CCCCC2)(OC2CCCCC2)([O]1C1CCCCC1)OC1CCCCC1)OC1CCCCC1 |
| Title of publication | Non-oxo vanadium(IV) alkoxide chemistry: solid state structures, aggregation equilibria and thermochromic behaviour in solution. |
| Authors of publication | Westrup, Kátia C M; Gregório, Thaiane; Stinghen, Danilo; Reis, Dayane M.; Hitchcock, Peter B.; Ribeiro, Ronny R.; Barison, Andersson; Back, Davi F.; de Sá, Eduardo L; Nunes, Giovana G.; Soares, Jaísa F |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 13 |
| Pages of publication | 3198 - 3210 |
| a | 12.6317 ± 0.0009 Å |
| b | 17.4642 ± 0.0009 Å |
| c | 21.9583 ± 0.0014 Å |
| α | 90° |
| β | 92.655 ± 0.004° |
| γ | 90° |
| Cell volume | 4838.9 ± 0.5 Å3 |
| Cell temperature | 139 ± 2 K |
| Ambient diffraction temperature | 139 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.1047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7015369.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7015369.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7015369.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015369.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015369.cif |
| 21137 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015367, 7015368, 7015369 via cif-deposit CGI script. |
7015369.cif |
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