Information card for entry 7008666

Structure parameters

• Formula: C10 H22 Cl4 O6 V2
• Calculated formula: C10 H22 Cl4 O6 V2
• SMILES: C1C[O](C(C)C)[V]2(=O)(O1)([Cl][V]1(=O)(OCC[O]1C(C)C)([Cl]2)Cl)Cl
• Title of publication: Chloride-bridged oxovanadium(V) complexes with alkoxyalkoxide ligands. Synthesis, structure, electrochemistry and reactivities.
• Authors of publication: Rosenthal, Esther C. E.; Cui, Huiling; Koch, Juliane; Escarpa Gaede, Petra; Hummert, Markus; Dechert, Sebastian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 18
• Pages of publication: 3108 - 3117
• a: 7.2385 ± 0.0002 Å
• b: 7.3552 ± 0.0001 Å
• c: 9.4709 ± 0.0002 Å
• α: 102.775 ± 0.001°
• β: 96.106 ± 0.001°
• γ: 109.218 ± 0.001°
• Cell volume: 455.479 ± 0.018 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No