Information card for entry 7008670

Structure parameters

• Formula: C8 H17 Cl O4 V
• Calculated formula: C8 H17 Cl2 O4 V
• SMILES: C1C[O](CC)[V](=O)(O1)([O]1CCCC1)(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: 15.0823 ± 0.0007 Å
• b: 7.4876 ± 0.0003 Å
• c: 11.1036 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1253.93 ± 0.09 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: 0.0809
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No