Information card for entry 7008668

Structure parameters

• Formula: C10 H18 Cl4 O6 V2
• Calculated formula: C10 H18 Cl4 O6 V2
• SMILES: C1[C@H]2CCC[O]2[V]2(=O)(O1)(Cl)[Cl][V]1(=O)(OC[C@@H]3CCC[O]13)([Cl]2)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: 19.8493 ± 0.0003 Å
• b: 7.3878 ± 0.0001 Å
• c: 13.3868 ± 0.0001 Å
• α: 90°
• β: 118.163 ± 0.001°
• γ: 90°
• Cell volume: 1730.66 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.132
• 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