Information card for entry 4120525

Structure parameters

• Common name: nd190
• Formula: C28 H42 B Ga N2
• Calculated formula: C28 H42 B Ga N2
• SMILES: [Ga](C)(C)B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: A dimethylgallium boryl complex and its methyllithium addition compound.
• Authors of publication: Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 3
• Pages of publication: 886 - 889
• a: 18.7239 ± 0.0006 Å
• b: 14.7354 ± 0.0005 Å
• c: 20.3319 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5609.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No