Information card for entry 7015369

Structure parameters

• 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 ų
• 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