Information card for entry 4117835

Structure parameters

• Chemical name: (H)SiC(Me)2(CHMe2)C6H3B(NDippCH){N(Dipp)SiMe3}
• Formula: C41 H62 B N3 Si2
• Calculated formula: C41 H62 B N3 Si2
• SMILES: [SiH]1(N([Si](C)(C)C)c2c(cccc2C(C)C)C(C)C)B2N(C=CN2c2c(cccc2C1(C)C)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: 20.38147 ± 0.00015 Å
• b: 13.94342 ± 0.0001 Å
• c: 28.0053 ± 0.0002 Å
• α: 90°
• β: 92.4363 ± 0.0007°
• γ: 90°
• Cell volume: 7951.56 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0241
• Weighted residual factors for all reflections included in the refinement: 0.0239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0639
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No