Information card for entry 7008669

Structure parameters

• Formula: C7 H15 Cl2 O4 V
• Calculated formula: C7 H15 Cl2 O4 V
• SMILES: [V]1(Cl)(Cl)(OCC[O]1C)([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: 11.161 ± 0.0002 Å
• b: 7.655 ± 0.0001 Å
• c: 13.7459 ± 0.0002 Å
• α: 90°
• β: 101.533 ± 0.002°
• γ: 90°
• Cell volume: 1150.7 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No