Information card for entry 7710659

Structure parameters

• Formula: C33 H34 Cl3 F N3 V
• Calculated formula: C33 H34 Cl3 F N3 V
• SMILES: [V](Cl)(Cl)(Cl)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=Nc1ccc(F)cc1.c1ccccc1
• 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: 15.6071 ± 0.0002 Å
• b: 12.4727 ± 0.0002 Å
• c: 17.0607 ± 0.0002 Å
• α: 90°
• β: 105.056 ± 0.001°
• γ: 90°
• Cell volume: 3207.08 ± 0.08 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No