Information card for entry 4117836

Structure parameters

• Chemical name: H2Si{B(NDippCH)2}{N(Dipp)SiMe3}
• Formula: C41 H64 B N3 Si2
• Calculated formula: C41 H64 B N3 Si2
• SMILES: [SiH2](B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: A Stable Two-Coordinate Acyclic Silylene
• Authors of publication: Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 6500 - 6503
• a: 11.0507 ± 0.0002 Å
• b: 21.7304 ± 0.0004 Å
• c: 17.4807 ± 0.0003 Å
• α: 90°
• β: 100.077 ± 0.0008°
• γ: 90°
• Cell volume: 4132.99 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No