Information card for entry 4114724

Structure parameters

• Formula: C33.5 H59.5 N16.5 O2.5 V2
• Calculated formula: C33.5 H42 N16.5 O2.5 V2
• Title of publication: Tetracyanide-Bridged Divanadium Complexes: Redox Switching between Strong Antiferromagnetic and Strong Ferromagnetic Coupling
• Authors of publication: Matthew P. Shores; Jeffrey R. Long
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 3512 - 3513
• a: 18.905 ± 0.004 Å
• b: 14.931 ± 0.003 Å
• c: 15.295 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4317.3 ± 1.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1486
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections: 0.2548
• Weighted residual factors for significantly intense reflections: 0.2184
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No