Information card for entry 4110315

Structure parameters

• Common name: Compound 10
• Formula: C80 H104 Sn2
• Calculated formula: C80 H104 Sn2
• SMILES: C(C)(c1c(c2c([Sn]3[H][Sn](c4c(cc(cc4c4c(cccc4C(C)C)C(C)C)C(C)(C)C)c4c(cccc4C(C)C)C(C)C)[H]3)c(cc(c2)C(C)(C)C)c2c(cccc2C(C)C)C(C)C)c(ccc1)C(C)C)C.c1ccccc1.c1ccccc1
• Title of publication: Isomeric Forms of Heavier Main Group Hydrides: Experimental and Theoretical Studies of the [Sn(Ar)H]2 (Ar = Terphenyl) System
• Authors of publication: Eric Rivard; Roland C. Fischer; Robert Wolf; Yang Peng; W. Alexander Merrill; Nathan D. Schley; Zhongliang Zhu; Lihung Pu; James C. Fettinger; Simon J. Teat; Isreal Nowik; Rolfe H. Herber; Nozomi Takagi; Shigeru Nagase; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 16197 - 16208
• a: 17.488 ± 0.003 Å
• b: 11.6926 ± 0.0017 Å
• c: 17.666 ± 0.003 Å
• α: 90°
• β: 94.351 ± 0.003°
• γ: 90°
• Cell volume: 3601.9 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• 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: 0.1089
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No