Information card for entry 7710662

Structure parameters

• Formula: C22 H40 Cl3 N4 V
• Calculated formula: C22 H40 Cl3 N4 V
• SMILES: [V](Cl)(Cl)(Cl)(=C1N(C(C)C)C(=C(N1C(C)C)C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C
• 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: 11.5192 ± 0.0001 Å
• b: 12.8095 ± 0.0001 Å
• c: 17.8255 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2630.25 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No