Information card for entry 7011621

Structure parameters

• Formula: C49 H62 N2 O Zr
• Calculated formula: C49 H62 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: 12.1678 ± 0.0004 Å
• b: 12.3408 ± 0.0004 Å
• c: 15.8545 ± 0.0003 Å
• α: 82.1531 ± 0.0018°
• β: 88.5042 ± 0.0017°
• γ: 63.8531 ± 0.0012°
• Cell volume: 2115.53 ± 0.11 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 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: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No