Information card for entry 7710597

Structure parameters

• Formula: C32 H52 B I N3 Si
• Calculated formula: C32 H52 B I N3 Si
• SMILES: IB([Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)N(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: High yield of a variety of silicon-boron radicals and their reactivity
• Authors of publication: Roesky, Herbert W.; Nazish, Mohd; Ding, Yi; Legendre, Christina M.; Kumar, Arun; Graw, Nico; Schwederski, Brigitte; Herbst-Irmer, Regine; P, Parvathy; Parameswaran, Pattiyil; Stalke, Dietmar; Kaim, Wolfgang
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.626 ± 0.002 Å
• b: 18.594 ± 0.003 Å
• c: 14.454 ± 0.002 Å
• α: 90°
• β: 90.75 ± 0.02°
• γ: 90°
• Cell volume: 3393 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No