Information card for entry 4085741

Structure parameters

• Formula: C29 H46 F3 N O3 P2 S Zr
• Calculated formula: C29 H46 F3 N O3 P2 S Zr
• Title of publication: β-Hydrogen Abstraction of an Ethyl Group Provides Entry to Titanium and Zirconium Ethylene Complexes
• Authors of publication: Kamitani, Masahiro; Searles, Keith; Chen, Chun-Hsing; Carroll, Patrick J.; Mindiola, Daniel J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2558
• a: 26.6098 ± 0.0004 Å
• b: 26.6098 ± 0.0004 Å
• c: 9.6169 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6809.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9719
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No