Information card for entry 4072897

Structure parameters

• Formula: C54 H53 B F20 N3 O V
• Calculated formula: C54 H53 B F20 N3 O V
• SMILES: [V]([O]1CCCC1)(=Nc1c(cccc1C)C)(N=C(C(C)(C)C)C(C)(C)C)N=C(C(C)(C)C)C(C)(C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](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: Synthesis of Various (Arylimido)vanadium(V)−Methyl Complexes Containing Ketimide Ligands and Reactions with Alcohols, Thiols, and Borates: Implications for Unique Reactivity toward Alcohols
• Authors of publication: Yamada, Junji; Fujiki, Michiya; Nomura, Kotohiro
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2579
• a: 15.606 ± 0.005 Å
• b: 15.262 ± 0.004 Å
• c: 24.342 ± 0.006 Å
• α: 90°
• β: 93.897 ± 0.013°
• γ: 90°
• Cell volume: 5784 ± 3 ų
• Cell temperature: 243.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No