Information card for entry 4069378

Structure parameters

• Chemical name: 1,2-Bis{bis[bis(trimethylsilyl)methyl]isopropylsilyl}- 3,5,8-triphenyl-2,6,7-triaza-1,4-disila- bicyclo[2.2.2]oct-2,5,7-triene
• Formula: C65.5 H117 N3 Si12
• Calculated formula: C65.5 H117 N3 Si12
• SMILES: [Si]12([Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C)N=C([Si]([Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C)(C(=N1)c1ccccc1)C(=N2)c1ccccc1)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Reactivity of the Disilyne RSiSiR (R = SiiPr[CH(SiMe3)2]2) toward Nitriles: Unexpected Formation of Triaza-1,4-disilabicyclo[2.2.2]octa-2,5,7-triene Derivatives
• Authors of publication: Takeuchi, Katsuhiko; Ichinohe, Masaaki; Sekiguchi, Akira; Guo, Jing-Dong; Nagase, Shigeru
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2658
• a: 11.937 ± 0.0006 Å
• b: 18.268 ± 0.0009 Å
• c: 20.038 ± 0.0007 Å
• α: 67.498 ± 0.002°
• β: 79.296 ± 0.003°
• γ: 75.67 ± 0.002°
• Cell volume: 3891 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No