Information card for entry 1566187

Structure parameters

• Formula: C62 H88 N4 O7 V2
• Calculated formula: C62 H88 N4 O7 V2
• 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: 15.6163 ± 0.0002 Å
• b: 27.5787 ± 0.0001 Å
• c: 20.3189 ± 0.0002 Å
• α: 90°
• β: 110.231 ± 0.001°
• γ: 90°
• Cell volume: 8211.01 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.82495 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No