Information card for entry 7101334

Structure parameters

• Formula: C20 H15 N2 O4 V
• Calculated formula: C20 H15 N2 O4 V
• SMILES: [V]123(Oc4c([N]3(c3c(O1)cccc3)c1c(O2)cccc1)cccc4)(=O)[N]#CC
• 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: 9.6923 ± 0.0018 Å
• b: 11.754 ± 0.002 Å
• c: 16.214 ± 0.003 Å
• α: 90°
• β: 107.213 ± 0.004°
• γ: 90°
• Cell volume: 1764.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.6892 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No