Information card for entry 4321157

Structure parameters

• Chemical name: [Cr3(DPhIP)4(CH3CN)(F)](BF4)2,5(CH3CN)
• Formula: C80 H82 B2 Cr3 F9 N18
• Calculated formula: C78.86 H64 B3 Cr3 F9 N17.708
• Title of publication: Linear Trichromium Complexes with the Anion of 2,6-Di(phenylimino)piperidine
• Authors of publication: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Hong-Cai Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3414 - 3417
• a: 14.1545 ± 0.0007 Å
• b: 14.1545 ± 0.0007 Å
• c: 19.873 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3981.6 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections: 0.1769
• Weighted residual factors for significantly intense reflections: 0.1628
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No