Information card for entry 7702927

Structure parameters

• Common name: [(TpAd,iPr)Ba(AB)]
• Formula: C57 H82 B Ba N7
• Calculated formula: C57 H82 B Ba N7
• 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: 11.6141 ± 0.0006 Å
• b: 20.4509 ± 0.0011 Å
• c: 25.1549 ± 0.0013 Å
• α: 90°
• β: 91.713 ± 0.001°
• γ: 90°
• Cell volume: 5972.1 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No