Information card for entry 2230367

Structure parameters

• Chemical name: Poly[μ-aqua-aqua{μ-6-ethoxy-2-[(2- isonicotinoylhydrazinylidene)methyl]phenolato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}dioxidosodiumvanadate(V)]
• Formula: C15 H17 N3 Na O7 V
• Calculated formula: C15 H17 N3 Na O7 V
• SMILES: CCOc1cccc2c1O[V]1([N](=C2)N=C(O1)c1ccncc1)(=O)=O.[Na+].O.O
• Title of publication: Poly[μ-aqua-aqua{μ-6-ethoxy-2-[(2-isonicotinoylhydrazinylidene)methyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}dioxidosodiumvanadate(V)]
• Authors of publication: Wong, Hon Wee; Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m799
• a: 19.1731 ± 0.0002 Å
• b: 14.6913 ± 0.0002 Å
• c: 13.2277 ± 0.0002 Å
• α: 90°
• β: 106.49 ± 0.0006°
• γ: 90°
• Cell volume: 3572.69 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes