Information card for entry 4089036

Structure parameters

• Formula: C28 H27 F10 Ga N2
• Calculated formula: C28 H27 F10 Ga N2
• SMILES: [Ga](C)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)[N](=C1C2CC3CC(CC1C3)C2)N1CCCCC1
• Title of publication: Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene
• Authors of publication: Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 21
• Pages of publication: 3701
• a: 10.1498 ± 0.0004 Å
• b: 10.981 ± 0.0005 Å
• c: 12.7022 ± 0.0005 Å
• α: 82.472 ± 0.0013°
• β: 72.5308 ± 0.0012°
• γ: 79.9641 ± 0.0012°
• Cell volume: 1325.09 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No