Information card for entry 4076284

Structure parameters

• Formula: C28 H9 B F15 V
• Calculated formula: C28 H9 B F15 V
• SMILES: [V]123456789([cH]%10[c]4([cH]3[cH]2[cH]1%10)[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1[F]9)F)F)F)F)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 17.0097 ± 0.0009 Å
• b: 15.7871 ± 0.001 Å
• c: 18.8105 ± 0.001 Å
• α: 90°
• β: 94.282 ± 0.004°
• γ: 90°
• Cell volume: 5037.2 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0936
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No