Information card for entry 4030682

Structure parameters

• Formula: C24 H88 N6 O36 V10
• Calculated formula: C24 N6 O36 V10
• SMILES: C(C)(C)(C)[NH3+].C(C)([NH3+])(C)C.C([NH3+])(C)(C)C.[O]12345[V]6789O[V]%10%111(O[V]1%125(O[V]53([O]7[V]37%13([O]%14%15%166[V]62([O]2[V]%17%14([O]8[V]42(O%10)(=O)O1)(O[V]%16(O7)(O[V]%15(O6)(O%17)(O%13)=O)(=O)O9)=O)([O]53)O%12)=O)(O%11)=O)=O)=O.O.O.O.O.C(C)(C)(C)[NH3+].C(C)(C)(C)[NH3+].C([NH3+])(C)(C)C.O.O.O.O
• Title of publication: Tert-butylammonium condensed vanadates. I. Hexakis(tert-butylammonium decavanadate octahydrate)
• Authors of publication: Averbuch-Pouchot, M.-T.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1994
• Journal volume: 31
• Pages of publication: 557 - 565
• a: 11.684 ± 0.001 Å
• b: 26.367 ± 0.003 Å
• c: 10.535 ± 0.001 Å
• α: 90°
• β: 114.08 ± 0.03°
• γ: 90°
• Cell volume: 2963.1 ± 0.9 ų
• Ambient diffraction temperature: 294 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 significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No