Information card for entry 7710655

Structure parameters

• Formula: C21 H24 Cl3 N2 V
• Calculated formula: C21 H24 Cl3 N2 V
• SMILES: C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[V](Cl)(Cl)Cl
• Title of publication: N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)
• Authors of publication: Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 16.2209 ± 0.0001 Å
• b: 16.6404 ± 0.0001 Å
• c: 17.0229 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4594.86 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.1 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No