Information card for entry 7011622

Structure parameters

• Formula: C53 H64 N2 O Zr
• Calculated formula: C53 H64 N2 O Zr
• Title of publication: Synthesis, structure and molecular dynamics of ??2-iminoacyl compounds [Cp(ArO)Zr(??2-ButNCCH2Ph)(CH2Ph)] and [Cp(ArO)Zr(??2-ButNCCH2Ph)2]
• Authors of publication: Thorn, Matthew G.; Lee, Jongtaik; Fanwick, Phillip E.; Rothwell, Ian P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 3398
• a: 11.995 ± 0.0007 Å
• b: 13.3697 ± 0.0009 Å
• c: 14.9039 ± 0.0005 Å
• α: 99.974 ± 0.003°
• β: 99.813 ± 0.003°
• γ: 97.689 ± 0.002°
• Cell volume: 2286.5 ± 0.2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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 significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No