Information card for entry 4100291

Structure parameters

• Formula: C12 H36 O19 V6
• Calculated formula: C12 H36 O19 V6
• SMILES: [V]1234(=O)[OH]([V]567(=O)[OH]([V]89(=O)([OH]1C)[OH]([V]1%10(=O)([OH]2C)[OH]([V]2(=O)([OH]3C)([OH]5C)[OH]([V](=O)([OH]6C)([OH]8C)([OH]1C)[O]479%102)C)C)C)C)C
• Title of publication: Neutral and Cationic V^IV^/V^V^ Mixed-Valence Alkoxo-polyoxovanadium Clusters [V~6~O~7~(OR)~12~]^n+^(R = ‒CH~3~, ‒C~2~H~5~): Structural, Cyclovoltammetric and IR-Spectroscopic Investigations on Mixed Valency in a Hexanuclear Core
• Authors of publication: Daniel, Charles; Hartl, Hans
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 40
• Pages of publication: 13978 - 13987
• a: 20.8343 ± 0.0012 Å
• b: 10.083 ± 0.0006 Å
• c: 13.5064 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2837.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No