Information card for entry 1566186

Structure parameters

• Formula: C33 H44 F3 N2 O5 V
• Calculated formula: C33 H44 F3 N2 O5 V
• Title of publication: Bis(phenolate)-functionalized N-heterocyclic carbene complexes of oxo- and imido-vanadium(V)
• Authors of publication: Suresh, Lakshmi; Finnstad, Jone; Törnroos, Karl W.; Le Roux, Erwan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2021
• Journal volume: 521
• Pages of publication: 120301
• a: 15.3728 ± 0.0007 Å
• b: 17.2974 ± 0.0007 Å
• c: 12.1482 ± 0.0005 Å
• α: 90°
• β: 90.048 ± 0.001°
• γ: 90°
• Cell volume: 3230.3 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0686
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No