Information card for entry 4313866

Structure parameters

• Chemical name: Dilithio-tris(bis(tert-butylamido)phenylborane)-hafnium
• Formula: C42 H69 B3 Hf Li2 N6
• Calculated formula: C42 H69 B3 Hf Li2 N6
• SMILES: [Hf]1234([N]56(B([N]1(C(C)(C)C)[Li]5[N]14(B([N]3(C(C)(C)C)[Li]61)c1ccccc1)C(C)(C)C)c1ccccc1)C(C)(C)C)N(B(N2C(C)(C)C)c1ccccc1)C(C)(C)C
• 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: 10.1198 ± 0.0006 Å
• b: 19.8226 ± 0.0012 Å
• c: 22.2641 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4466.2 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No