Information card for entry 4313863

Structure parameters

• Chemical name: Bis(bis(tert-butylamido)phenylborane)-tetrahydrofuran-zirconium n-hexane solvate
• Formula: C35 H61 B2 N4 O Zr
• Calculated formula: C35 H61 B2 N4 O Zr
• Title of publication: Bis(alkylamido)phenylborane Complexes of Zirconium, Hafnium, and Vanadium
• Authors of publication: David R. Manke; Daniel G. Nocera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4431 - 4436
• a: 10.8574 ± 0.0013 Å
• b: 13.3389 ± 0.0016 Å
• c: 26.086 ± 0.003 Å
• α: 90°
• β: 91.119 ± 0.002°
• γ: 90°
• Cell volume: 3777.2 ± 0.8 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No