Information card for entry 4101762

Structure parameters

• Chemical name: tris(1,2-dimethoxyethane)lithium(I) trans-1,1,4,4-tetrakis- [bis(trimethylsilyl)methyl]-1,4-diisopropyl-2-tetrasilene-2-yl-2-ide
• Formula: C52 H127 Li O6 Si12
• Calculated formula: C52 H127 Li O6 Si12
• SMILES: [Si-](=[SiH][Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C.[O]1(C)CC[O](C)[Li]231([O](C)CC[O]2C)[O](C)CC[O]3C.c1ccccc1
• Title of publication: An isolable disilyne anion radical and a new route to the disilenide ion upon reduction of a disilyne.
• Authors of publication: Kinjo, Rei; Ichinohe, Masaaki; Sekiguchi, Akira
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Journal issue: 1
• Pages of publication: 26 - 27
• a: 25.348 ± 0.0006 Å
• b: 13.879 ± 0.0004 Å
• c: 23.199 ± 0.0007 Å
• α: 90°
• β: 114.679 ± 0.001°
• γ: 90°
• Cell volume: 7416.1 ± 0.4 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No