Information card for entry 4117495

Structure parameters

• Chemical name: E-1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-2,3-dicyano- 1,4-diisopropyl-2-tetrasilene
• Formula: C36 H90 N2 Si12
• Calculated formula: C36 H90 N2 Si12
• SMILES: C(#N)/[Si]([Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C)=[Si](/C#N)[Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C
• Title of publication: A New Disilene with π-Accepting Groups from the Reaction of Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]) with Isocyanides
• Authors of publication: Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2954 - 2957
• a: 9.5952 ± 0.0011 Å
• b: 10.9258 ± 0.0013 Å
• c: 14.635 ± 0.003 Å
• α: 106.505 ± 0.002°
• β: 95.721 ± 0.002°
• γ: 109.877 ± 0.001°
• Cell volume: 1350.2 ± 0.4 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No