Information card for entry 2017319

Structure parameters

• Chemical name: poly[di-μ~2~-aqua-bis(hydroxylamido)-μ~3~-malonato-oxidosodiumvanadium(V)]
• Formula: C3 H10 N2 Na O9 V
• Calculated formula: C3 H10 N2 Na O9 V
• SMILES: [V]123(OC(=O)CC(=O)O1)(O[NH2]2)(O[NH2]3)=O.[Na+].O.O
• Title of publication: A three-dimensional supramolecular vanadium hydroxylamide complex: poly[di-μ~2~-aqua-bis(hydroxylamido)-μ~3~-malonato-oxidosodiumvanadium(V)]
• Authors of publication: Zhang, Qi-Ying; Zhang, Heng-Qiang; Kong, Ai-Guo; Yang, Qian; Shan, Yong-Kui
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m401 - m403
• a: 9.6393 ± 0.0002 Å
• b: 15.4265 ± 0.0004 Å
• c: 7.4346 ± 0.0002 Å
• α: 90°
• β: 111.984 ± 0.001°
• γ: 90°
• Cell volume: 1025.15 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0265
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes