Information card for entry 2213824

Structure parameters

• Chemical name: 2,9-Dimethyl-1,10-phenanthrolinium dioxo(pyridine-2,6-dicarboxylato)vanadate(V) monohydrate
• Formula: C21 H18 N3 O7 V
• Calculated formula: C21 H18 N3 O7 V
• SMILES: [V]12(=O)(=O)OC(=O)c3[n]2c(ccc3)C(=O)O1.[nH+]1c(ccc2ccc3ccc(nc3c12)C)C.O
• Title of publication: 2,9-Dimethyl-1,10-phenanthrolinium dioxido(pyridine-2,6-dicarboxylato)vanadate(V) monohydrate
• Authors of publication: Aghabozorg, Hossein; Sadr-khanlou, Elahe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1753 - m1753
• a: 7.1194 ± 0.0012 Å
• b: 10.6843 ± 0.0019 Å
• c: 13.48 ± 0.002 Å
• α: 81.166 ± 0.003°
• β: 82.397 ± 0.003°
• γ: 81.959 ± 0.004°
• Cell volume: 996.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes