Information card for entry 2004601

Structure parameters

• Common name: Tris(ethylammonium)decavanadate dihydrate
• Formula: C6 H34 N6 O30 V10
• Calculated formula: C6 H34 N6 O30 V10
• SMILES: C([NH3+])C[NH3+].[NH3+]CC[NH3+].O1[V]2345[O]6[V]789([O]%10[V]%11%12%13%14[O]%15[V]%16%17([O]2[V]2%18%15(O[V]%151(O[V](O7)(O%11)(O2)(=O)[O]49%13%18%15)(O8)=O)=O)(O[V]12(O[V]4(O%16)(O%12)(O[V]6%10(O1)(=O)[O]5%14%1724)=O)(O3)=O)=O)=O.O.C(C[NH3+])[NH3+].O
• Title of publication: A New Decavanadate Dihydrate Templated by Ethylenediamine
• Authors of publication: Ninclaus, C.; Riou, D.; Férey, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 512 - 514
• a: 10.5096 ± 0.0008 Å
• b: 10.873 ± 0.001 Å
• c: 14.32 ± 0.001 Å
• α: 90°
• β: 106.261 ± 0.008°
• γ: 90°
• Cell volume: 1570.9 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0673
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for all reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1282
• Goodness-of-fit parameter for all reflections: 0.994
• Goodness-of-fit parameter for significantly intense reflections: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No