Information card for entry 4314288

Structure parameters

• Chemical name: tetrakis(N,N'-di(p-chlorophenyl)formamidinate)divanadium(II,II)
• Formula: C52 H36 Cl8 N8 V2
• Calculated formula: C52 H36 Cl8 N8 V2
• SMILES: c1(ccc(cc1)Cl)N1[V]234[N](=CN([V]2(N(c2ccc(cc2)Cl)C=[N]4c2ccc(cc2)Cl)(N(C=[N]3c2ccc(cc2)Cl)c2ccc(cc2)Cl)[N](=C1)c1ccc(cc1)Cl)c1ccc(cc1)Cl)c1ccc(cc1)Cl
• 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: 26.5959 ± 0.0017 Å
• b: 27.2378 ± 0.0017 Å
• c: 29.7981 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21586 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No