Information card for entry 7101333

Structure parameters

• Formula: C104 H144 N2 O7 V
• Calculated formula: C104 H143.615 N2 O7 V
• 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: 15.4639 ± 0.0008 Å
• b: 30.6728 ± 0.0017 Å
• c: 21.4928 ± 0.0009 Å
• α: 90°
• β: 107.107 ± 0.003°
• γ: 90°
• Cell volume: 9743.5 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1983
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No