Information card for entry 4076286

Structure parameters

• Formula: C30 H11 B F15 O2 V
• Calculated formula: C30 H11 B F15 O2 V
• SMILES: [V]12345678(C#[O])(C#[O])([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81.[BH](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Zwitterionic, Ring-Borylated Vanadium(III) Complexes from [Cp2VCO] and B(C6F5)3
• Authors of publication: Choukroun, Robert; Lorber, Christian; Donnadieu, Bruno
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1434
• a: 14.594 ± 0.005 Å
• b: 16.127 ± 0.005 Å
• c: 11.89 ± 0.005 Å
• α: 90 ± 0.005°
• β: 97.046 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2777.3 ± 1.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No