Information card for entry 4085472

Structure parameters

• Formula: C46 H64 B Ge N3 Si2
• Calculated formula: C46 H64 B Ge N3 Si2
• SMILES: [Ge](N([Si](C)(C)C)[Si](C)(C)C)/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: 9.7028 ± 0.0002 Å
• b: 13.8881 ± 0.0003 Å
• c: 18.1686 ± 0.0004 Å
• α: 89.963 ± 0.002°
• β: 78.387 ± 0.002°
• γ: 72.571 ± 0.002°
• Cell volume: 2283.4 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0193
• Weighted residual factors for all reflections included in the refinement: 0.019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No