Information card for entry 4106000

Structure parameters

• Chemical name: 3,6-Bis[Bis(di-tert-butylmethylsilyl)silylene]cyclohexa-1,4-diene
• Formula: C42 H88 Si6
• Calculated formula: C42 H88 Si6
• Title of publication: Isolable p- and m-[(tBu2MeSi)2Si]2C6H4: Disilaquinodimethane vs Triplet Bis(silyl radical)
• Authors of publication: Takeshi Nozawa; Michiyo Nagata; Masaaki Ichinohe; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 5773 - 5775
• a: 14.9622 ± 0.0017 Å
• b: 11.727 ± 0.0013 Å
• c: 15.0608 ± 0.0017 Å
• α: 90°
• β: 109.114 ± 0.001°
• γ: 90°
• Cell volume: 2496.9 ± 0.5 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No