Information card for entry 2238743

Structure parameters

• Chemical name: <i>catena</i>-Poly[2,2',2''-nitrilotris(ethanaminium) [tri-μ-oxido-tris[dioxidovanadate(V)]] monohydrate]
• Formula: C6 H23 N4 O10 V3
• Calculated formula: C6 H23 N4 O10 V3
• SMILES: [V](=O)(=O)O[V](=O)([O-])O[V]([O-])(=O)[O-].O.N(CC[NH3+])(CC[NH3+])CC[NH3+]
• Title of publication: <i>catena</i>-Poly[2,2',2''-nitrilotris(ethanaminium) [tri-μ-oxido-tris[dioxidovanadate(V)]] monohydrate]
• Authors of publication: Chang, Kelvin B.; Smith, Matthew D.; Zeller, Matthias; Norquist, Alexander J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: m570 - m571
• a: 9.6624 ± 0.0014 Å
• b: 10.9179 ± 0.0015 Å
• c: 15.768 ± 0.002 Å
• α: 90°
• β: 100.565 ± 0.002°
• γ: 90°
• Cell volume: 1635.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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 all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No