Information card for entry 4125015

Structure parameters

• Formula: C47 H72 B N3 Si Sn
• Calculated formula: C47 H72 B N3 Si Sn
• SMILES: [Sn]1(N(c2c(cccc2C(C)C)C(C)C)[Si](C)(C)C)(CC(=C(C1)C)C)B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.
• Authors of publication: Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 13
• Pages of publication: 4555 - 4564
• a: 11.3662 ± 0.0001 Å
• b: 19.9462 ± 0.0002 Å
• c: 20.7654 ± 0.0003 Å
• α: 90°
• β: 91.3439 ± 0.001°
• γ: 90°
• Cell volume: 4706.48 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0186
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No