Information card for entry 7101332

Structure parameters

• Formula: C86 H122 O8 V2
• Calculated formula: C86 H122 O8 V2
• Title of publication: Vanadyl C and N-capped tris(phenolate) complexes: influence of pro-catalyst geometry on catalytic activity.
• Authors of publication: Carl Redshaw; Sophie H. Dale; Mark R.J. Elsegood; Damien M. Hamden; Sadahiko Matsuura; Shigekazu Matsui; Michael Rowan
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 31
• a: 12.1275 ± 0.0008 Å
• b: 13.7705 ± 0.001 Å
• c: 13.8307 ± 0.001 Å
• α: 104.984 ± 0.002°
• β: 104.898 ± 0.002°
• γ: 105.394 ± 0.002°
• Cell volume: 2015.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0955
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No