Information card for entry 4089031

Structure parameters

• Formula: C34 H62 Ga2 N4
• Calculated formula: C34 H62 Ga2 N4
• SMILES: [Ga]1(C)(C)[N](C2C3CC4CC(CC2C4)C3)(N2CCCCC2)[Ga](C)(C)[N]1(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: 9.9222 ± 0.0004 Å
• b: 10.4627 ± 0.0005 Å
• c: 32.3247 ± 0.0014 Å
• α: 94.3967 ± 0.0013°
• β: 94.7393 ± 0.0013°
• γ: 98.3163 ± 0.0013°
• Cell volume: 3295.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No