Information card for entry 7010333

Structure parameters

• Common name: Bis(tetra-n-butylammonium) tetrahydrogendecavanadate
• Formula: C32 H76 N2 O28 V10
• Calculated formula: C32 H76 N2 O28 V10
• SMILES: [V]1234(=O)O[V]5678[O]9[V]%10%11(=O)(O2)[OH]2[V]%12%13%14%15O[V]%16(=O)(O1)([OH]%10)[O]35%11%12[V]1(=O)([O]%14[V]35(=O)(O[V]%10%11(O[V]%1292(=O)O[V](=O)(O6)(O%10)([OH]3)[O]8%155%11%12)(=O)O%13)[OH]71)(O%16)O4.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Hydrogen-bonded aggregates of protonated decavanadate anions in their tetraalkylammonium salts † ‡
• Authors of publication: Nakamura, Setsuko; Ozeki, Tomoji
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 472
• a: 8.5633 ± 0.0009 Å
• b: 21.048 ± 0.003 Å
• c: 15.435 ± 0.002 Å
• α: 90°
• β: 96.375 ± 0.01°
• γ: 90°
• Cell volume: 2764.8 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No