Information card for entry 7008671

Structure parameters

• Formula: C9 H19 Cl O4 V
• Calculated formula: C9 H19 Cl2 O4 V
• SMILES: [V]1(Cl)(Cl)([O](CCO1)C(C)C)([O]1CCCC1)=O
• 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: 19.711 ± 0.005 Å
• b: 9.88 ± 0.005 Å
• c: 7.039 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1370.8 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No