Information card for entry 4314290

Structure parameters

• Chemical name: tetrakis(anilinopyridyl-N,N')divanadium(II,II), benzene solvate
• Formula: C56 H48 N8 V2
• Calculated formula: C56 H48 N8 V2
• SMILES: c1cccc2[n]1[V]134[n]5ccccc5N([V]4(N2c2ccccc2)([n]2ccccc2N3c2ccccc2)[n]2ccccc2N1c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: New Chemistry of the Triply Bonded Divanadium (V24+) Unit and Reduction to an Unprecedented V23+ Core
• Authors of publication: F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6063 - 6070
• a: 9.9082 ± 0.001 Å
• b: 10.1633 ± 0.001 Å
• c: 12.7609 ± 0.0013 Å
• α: 97.989 ± 0.002°
• β: 109.99 ± 0.002°
• γ: 101.325 ± 0.002°
• Cell volume: 1154.1 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No