Information card for entry 4089430

Structure parameters

• Formula: C51 H64 N2 O2 Zr
• Calculated formula: C51 H64 N2 O2 Zr
• Title of publication: Group 4 Transition-Metal Complexes of an Aniline‒Carbene‒Phenol Ligand
• Authors of publication: Despagnet-Ayoub, Emmanuelle; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 2934
• a: 9.9907 ± 0.0003 Å
• b: 13.9388 ± 0.0004 Å
• c: 32.1296 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4474.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0432
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.497
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No