Information card for entry 2218688

Structure parameters

• Chemical name: Poly[μ-aqua-diaqua(μ~3~-N'-carboxymethylethylenediamine-N,N,N'- triacetato)oxidopotassium(I)vanadium(IV)]
• Formula: C10 H19 K N2 O12 V
• Calculated formula: C10 H19 K N2 O12 V
• SMILES: [V]1234([N](CC(=O)O2)(CC(=O)O3)CC[N]1(CC(=O)O4)CC(=O)O)=O.[K+].O.O.O
• Title of publication: Poly[μ-aqua-diaqua(μ~3~-<i>N</i>'-carboxymethylethylenediamine-<i>N</i>,<i>N</i>,<i>N</i>'-triacetato)oxidopotassium(I)vanadium(IV)]
• Authors of publication: Zhang, Rui-Hong; Lu, Li-Ping; Li, Ming-Xia; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m897
• a: 6.6701 ± 0.0013 Å
• b: 13.618 ± 0.003 Å
• c: 18.693 ± 0.004 Å
• α: 90°
• β: 96.15 ± 0.002°
• γ: 90°
• Cell volume: 1688.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes