Information card for entry 4120778

Structure parameters

• Common name: in,in-bis(hydrosilane)
• Formula: C43 H36 Cl3 S3 Si2
• Calculated formula: C43 H36 Cl3 S3 Si2
• SMILES: c1ccccc1.c12ccccc1SCc1ccccc1[SiH]1c3c(CSc4c(cccc4)[SiH]2c2ccccc2SCc2ccccc12)cccc3.C(Cl)(Cl)Cl
• Title of publication: Exceptional Steric Congestion in an in,in-Bis(hydrosilane)
• Authors of publication: Jie Zong; Joel T. Mague; Robert A. Pascal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13235 - 13237
• a: 14.0183 ± 0.0005 Å
• b: 14.0183 ± 0.0005 Å
• c: 11.3948 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1939.22 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2456
• Weighted residual factors for all reflections included in the refinement: 0.2544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No