Information card for entry 4314291

Structure parameters

• Chemical name: Potassium tetrakis(N,N'-diphenylformamidinate)divanadate(I,II)
• Formula: C64 H68 K N8 O3 V2
• Calculated formula: C64 H68 K N8 O3 V2
• SMILES: [V]1234[V]([N](=CN1c1ccccc1)c1ccccc1)(N(C=[N]2c1ccccc1)c1ccccc1)([N](c1ccccc1)=CN3c3ccccc3)N(c1ccccc1)=C[N]4c1ccccc1.[K]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 20.2487 ± 0.001 Å
• b: 12.4492 ± 0.0006 Å
• c: 22.9565 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5786.9 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No