Information card for entry 7700076

Structure parameters

• Common name: [TpBa(CH3Ph2)]
• Formula: C62 H83 B Ba N6
• Calculated formula: C62 H83 B Ba N6
• Title of publication: Reversible addition and hydrogenation of 1,1-diphenylethylene with a barium complex.
• Authors of publication: Shi, Xianghui; Cheng, Jianhua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 8565 - 8568
• a: 12.3228 ± 0.0019 Å
• b: 15.352 ± 0.003 Å
• c: 17.272 ± 0.003 Å
• α: 90.219 ± 0.002°
• β: 101.569 ± 0.002°
• γ: 104.232 ± 0.003°
• Cell volume: 3098 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No