Information card for entry 7106092

Structure parameters

• Formula: C70 H158 N6 O28 V10
• Calculated formula: C70 H158 N6 O28 V10
• SMILES: [V]123(O[V]4(O[V]5(O[V]67(O[V](O[V](O1)(O[V](O6)(O4)=O)=O)(O[V](O2)(O[V](O7)(O[V](O3)(O5)=O)=O)=O)=O)=O)=O)=O)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.O=CN(C)C.O=CN(C)C
• Title of publication: Tuning the light absorption of a molecular vanadium oxide system for enhanced photooxidation performance
• Authors of publication: Johannes Forster; Benedikt Rosner; Marat M. Khusniyarov; Carsten Streb
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3114
• a: 16.9781 ± 0.0002 Å
• b: 17.7089 ± 0.0003 Å
• c: 32.9662 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9911.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No