Information card for entry 4131429

Structure parameters

• Formula: C40 H96 N6 Si10
• Calculated formula: C40 H96 N6 Si10
• SMILES: [Si@H]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si@H]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)N=C1N(C=CN1C(C)(C)C)C(C)(C)C)N=C1N(C=CN1C(C)(C)C)C(C)(C)C.[Si@@H]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si@@H]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)N=C1N(C=CN1C(C)(C)C)C(C)(C)C)N=C1N(C=CN1C(C)(C)C)C(C)(C)C
• Title of publication: Twist of a Silicon-Silicon Double Bond: Selective Anti-Addition of Hydrogen to an Iminodisilene.
• Authors of publication: Wendel, Daniel; Szilvási, Tibor; Jandl, Christian; Inoue, Shigeyoshi; Rieger, Bernhard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 27
• Pages of publication: 9156 - 9159
• a: 20.3289 ± 0.0013 Å
• b: 13.9624 ± 0.0009 Å
• c: 22.7699 ± 0.0016 Å
• α: 90°
• β: 113.931 ± 0.002°
• γ: 90°
• Cell volume: 5907.4 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0417
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No