Information card for entry 4104382

Structure parameters

• Formula: C20 H32 B2 N2 Zr2
• Calculated formula: C20 H32 B2 N2 Zr2
• Title of publication: Characterization of β-B-Agostic Isomers in Zirconocene Amidoborane Complexes
• Authors of publication: Taryn D. Forster; Heikki M. Tuononen; Masood Parvez; Roland Roesler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6689 - 6691
• a: 16.463 ± 0.0006 Å
• b: 15.455 ± 0.0005 Å
• c: 10.138 ± 0.0003 Å
• α: 90°
• β: 123.341 ± 0.002°
• γ: 90°
• Cell volume: 2154.93 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No