Information card for entry 4332592

Structure parameters

• Formula: C22 H18 N10 O4 V
• Calculated formula: C22 H18 N10 O4 V
• SMILES: [V]12(=O)(n3c(nc(c3C#N)C#N)c3[n]1cccc3)(n1c(c3cccc[n]23)nc(c1C#N)C#N)[OH2].CO.CO
• Title of publication: Vanadium Complex of 2-(2‘-Pyridyl)-4,5-dicyanoimidazole Showing Spermicidal and Cytotoxic Properties
• Authors of publication: Less, Gregory B.; Ockwig, Nathan W.; Rasmussen, Paul G.; Smith, Gary D.; Keller, Laura M.; Drach, John C.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7105 - 7110
• a: 11.6017 ± 0.0009 Å
• b: 17.9435 ± 0.0013 Å
• c: 12.0775 ± 0.0009 Å
• α: 90°
• β: 102.743 ± 0.001°
• γ: 90°
• Cell volume: 2452.3 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No