Information card for entry 2211537

Structure parameters

• Chemical name: poly[hexa-μ~2~-oxo-tetraoxobis(1,10-phenanthroline)tetravanadium(V)]
• Formula: C24 H16 N4 O10 V4
• Calculated formula: C24 H16 N4 O10 V4
• SMILES: [V]12(=O)([n]3c4c(ccc3)ccc3c4[n]2ccc3)O[V](=O)O[V]23(=O)([n]4cccc5c4c4[n]3cccc4cc5)O[V](O1)(=O)O[V]13(=O)([n]4c5c(ccc4)ccc4c5[n]3ccc4)O[V](=O)(O2)O[V]2(=O)([O-])([n]3cccc4c3c3[n]2cccc3cc4)O[V](O1)([O-])=O
• Title of publication: Redetermination of poly[hexa-μ~2~-oxo-tetraoxobis(1,10-phenanthroline)tetravanadium(V)]
• Authors of publication: Li, Tao-Hai; Cao, Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3236 - m3237
• a: 9.8024 ± 0.0007 Å
• b: 6.5184 ± 0.0004 Å
• c: 19.8144 ± 0.0013 Å
• α: 90°
• β: 100.65 ± 0.002°
• γ: 90°
• Cell volume: 1244.25 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes