Information card for entry 2204512

Structure parameters

• Chemical name: Aqua(oxalato-κ^2^O,O')oxo(1,10-phenanthroline-κ^2^N,N')vanadium(IV)
• Formula: C14 H10 N2 O6 V
• Calculated formula: C14 H10 N2 O6 V
• SMILES: [V]12(OC(=O)C(=O)O1)(=O)([OH2])[n]1c3c(ccc1)ccc1ccc[n]2c31
• Title of publication: Aqua(oxalato-κ^2^<i>O</i>,<i>O</i>')oxo(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')vanadium(IV)
• Authors of publication: Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1584 - m1586
• a: 7.6328 ± 0.0007 Å
• b: 9.78 ± 0.0009 Å
• c: 9.8622 ± 0.0009 Å
• α: 89.351 ± 0.001°
• β: 73.954 ± 0.001°
• γ: 80.565 ± 0.001°
• Cell volume: 697.5 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes