Information card for entry 4100287

Structure parameters

• Formula: C24 H60 O19 V6
• Calculated formula: C24 H60 O19 V6
• SMILES: O=[V]1234[O]([V]567(=O)[O]([V]89%10(=O)[O]([V]%11(=O)([O]1CC)([O]5CC)[O]([V]1(=O)([O]2CC)([O]8CC)[O]([V](=O)([O]3CC)([O]9CC)([O]6CC)[O]47%10%111)CC)CC)CC)CC)CC
• 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: 10.338 ± 0.004 Å
• b: 17.76 ± 0.008 Å
• c: 11.002 ± 0.005 Å
• α: 90°
• β: 106.408 ± 0.008°
• γ: 90°
• Cell volume: 1937.7 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No