Information card for entry 2214502

Structure parameters

• Chemical name: catena-poly[N,N'-bis(2-ammonioethyl)oxamide [dioxidovanadate-μ-oxido-dioxidovanadate-μ-oxido]],
• Formula: C6 H16 N4 O8 V2
• Calculated formula: C6 H16 N4 O8 V2
• SMILES: [V](=O)([O-])([O-])O[V](=O)([O-])O[V](=O)([O-])O[V](=O)[O-].O=C(NCC[NH3+])C(=O)NCC[NH3+].O=C(NCC[NH3+])C(=O)NCC[NH3+]
• Title of publication: A new vanadate containing helical chains
• Authors of publication: Guo-Ming Wang; Jin-Hua Li; Jing Han; Hui-Luan Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2189 - m2189
• a: 6.7453 ± 0.0003 Å
• b: 5.5087 ± 0.0001 Å
• c: 18.1775 ± 0.0002 Å
• α: 90°
• β: 100.114 ± 0.003°
• γ: 90°
• Cell volume: 664.94 ± 0.03 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0314
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes