Information card for entry 4071561

Structure parameters

• Formula: C30 H42 F10 O6 V2
• Calculated formula: C30 H42 F10 O6 V2
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[V]1(OC(C)C)(OC(C)C)[O](C(C)C)[V](c2c(c(c(c(c2F)F)F)F)F)(OC(C)C)(OC(C)C)[O]1C(C)C
• Title of publication: Reactivity of B(C6F5)3with Simple Early Transition Metal Alkoxides: Alkoxide-Aryl Exchange, THF Ring-Opening, or Acetonitrile CC Coupling
• Authors of publication: Lorber, Christian; Choukroun, Robert; Vendier, Laure
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5017
• a: 9.4241 ± 0.0011 Å
• b: 9.5143 ± 0.0012 Å
• c: 11.2825 ± 0.0014 Å
• α: 75.416 ± 0.015°
• β: 67.418 ± 0.014°
• γ: 78.047 ± 0.015°
• Cell volume: 897 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No