Information card for entry 4114003

Structure parameters

• Chemical name: Tris[di-tert-butyl(methyl)silyl]stannanylium tetrakis(pentafluorophenyl)borate
• Formula: C51 H63 B F20 Si3 Sn
• Calculated formula: C51 H63 B F20 Si3 Sn
• SMILES: [Sn]([Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Tin-Centered Radical and Cation: Stable and Free
• Authors of publication: Akira Sekiguchi; Tomohide Fukawa; Vladimir Ya. Lee; Masaaki Nakamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 9250 - 9251
• a: 15.093 ± 0.0003 Å
• b: 21.047 ± 0.0002 Å
• c: 18.124 ± 0.0004 Å
• α: 90°
• β: 101.966 ± 0.001°
• γ: 90°
• Cell volume: 5632.21 ± 0.18 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No