Information card for entry 4085469

Structure parameters

• Chemical name: Sn(C(Ph)C(Ph)(B(L)))2
• Formula: C80 H92 B2 N4 Sn
• Calculated formula: C80 H92 B2 N4 Sn
• SMILES: [Sn](C(=C(/B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1)\c1ccccc1)C(=C(/B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1)\c1ccccc1
• Title of publication: Reactivity of Boryl- and Silyl-Substituted Carbenoids toward Alkynes: Insertion and Cycloaddition Chemistry
• Authors of publication: Protchenko, Andrey V.; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2126
• a: 12.8513 ± 0.00007 Å
• b: 27.5563 ± 0.00018 Å
• c: 19.6614 ± 0.00012 Å
• α: 90°
• β: 90.0514 ± 0.0005°
• γ: 90°
• Cell volume: 6962.77 ± 0.07 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: 0.042
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2782
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No