Information card for entry 7122700

Structure parameters

• Formula: C62 H78 Sn
• Calculated formula: C62 H78 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: 16.2901 ± 0.0009 Å
• b: 15.1083 ± 0.0008 Å
• c: 21.8016 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5365.7 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No