Information card for entry 4112268

Structure parameters

• Formula: C53.25 H81 N2 P V
• Calculated formula: C53.25 H81 N2 P V
• Title of publication: Terminal and Four-Coordinate Vanadium(IV) Phosphinidene Complexes. A Pseudo Jahn-Teller Effect of Second Order Stabilizing the V-P Multiple Bond
• Authors of publication: Falguni Basuli; Brad C. Bailey; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1924 - 1925
• a: 11.6061 ± 0.0011 Å
• b: 20.072 ± 0.002 Å
• c: 22.09 ± 0.002 Å
• α: 92.901 ± 0.003°
• β: 98.233 ± 0.002°
• γ: 94.051 ± 0.002°
• Cell volume: 5070.7 ± 0.8 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No