Information card for entry 4101838

Structure parameters

• Chemical name: E-1,1,4,4-Tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyl- 2-(9-borabicyclo[3.3.1]nonan-9-yl]-2-tetrasilene
• Formula: C49 H113 B Si12
• Calculated formula: C49 H113 B 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)/B1C2CCCC1CCC2.c1(ccccc1)C
• Title of publication: Addition of Amines and Hydroborane to the Disilyne RSi\τbSiR (R = SiiPr[CH(SiMe3)2]2) Giving Amino- and Boryl-Substituted Disilenes
• Authors of publication: Katsuhiko Takeuchi; Masao Ikoshi; Masaaki Ichinohe; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 930 - 931
• a: 15.421 ± 0.0005 Å
• b: 11.592 ± 0.0004 Å
• c: 37.112 ± 0.0007 Å
• α: 90°
• β: 98.946 ± 0.002°
• γ: 90°
• Cell volume: 6553.4 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0711
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No