Information card for entry 7122701

Structure parameters

• Formula: C84 H126 Sn
• Calculated formula: C84 H126 Sn
• Title of publication: Facile Insertion of Ethylene into a Group 14 Element-Carbon Bond: Effects of the HOMO-LUMO Energy Gap on Reactivity
• Authors of publication: Lai, Ting Yi; Guo, Jing Dong; Fettinger, James C.; Nagase, Shigeru; Power, Philip P.
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 15.3139 ± 0.001 Å
• b: 12.2886 ± 0.0008 Å
• c: 20.479 ± 0.0014 Å
• α: 90°
• β: 92.374 ± 0.003°
• γ: 90°
• Cell volume: 3850.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No