Information card for entry 4314289

Structure parameters

• Chemical name: tetrakis(triphenylguanidinate-N,N')divanadium(II,II), benzene solvate
• Formula: C100 H88 N12 V2
• Calculated formula: C100 H88 N12 V2
• SMILES: [V]1234[V]([N](=C(N1c1ccccc1)Nc1ccccc1)c1ccccc1)(N(C(=[N]2c1ccccc1)Nc1ccccc1)c1ccccc1)([N](=C(N3c1ccccc1)Nc1ccccc1)c1ccccc1)N(C(=[N]4c1ccccc1)Nc1ccccc1)c1ccccc1.c1ccccc1.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: 14.4048 ± 0.0013 Å
• b: 15.0819 ± 0.0013 Å
• c: 21.2103 ± 0.0018 Å
• α: 72.17 ± 0.002°
• β: 79.445 ± 0.002°
• γ: 69.961 ± 0.002°
• Cell volume: 4105.3 ± 0.6 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: 0.1111
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No