Information card for entry 7710657

Structure parameters

• Formula: C89 H133 Cl6 N4 V2
• Calculated formula: C89 H133 Cl6 N4 V2
• 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: 13.7553 ± 0.0002 Å
• b: 18.0303 ± 0.0003 Å
• c: 20.1548 ± 0.0004 Å
• α: 104.692 ± 0.002°
• β: 104.462 ± 0.001°
• γ: 106.015 ± 0.001°
• Cell volume: 4364.13 ± 0.15 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0529
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No