Information card for entry 7702928

Structure parameters

• Common name: [(TpAd,iPr)Ba(AlEt4)]
• Formula: C56 H90 Al B Ba N6
• Calculated formula: C56 H90 Al B Ba N6
• Title of publication: Barium tetraalkylaluminate complexes supported by the super-bulky hydrotris(pyrazolyl)borate ligand
• Authors of publication: Shi, Xianghui; Liu, Zhizhou; Cheng, Jianhua
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 11.6917 ± 0.0006 Å
• b: 13.0673 ± 0.0006 Å
• c: 19.1695 ± 0.0009 Å
• α: 80.152 ± 0.001°
• β: 80.831 ± 0.001°
• γ: 75.528 ± 0.001°
• Cell volume: 2773 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No