Information card for entry 4313867

Structure parameters

• Chemical name: Bis(bis(tert-butylamido)phenylborane)-vanadium
• Formula: C28 H46 B2 N4 V
• Calculated formula: C28 H46 B2 N4 V
• SMILES: B1(c2ccccc2)N(C(C)(C)C)[V]2(N(C(C)(C)C)B(c3ccccc3)N2C(C)(C)C)N1C(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: 17.297 ± 0.007 Å
• b: 8.976 ± 0.004 Å
• c: 20.237 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3142 ± 2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No