Information card for entry 7027051

Structure parameters

• Formula: C3 H12 Ga N
• Calculated formula: C3 H12 Ga N
• SMILES: C[N]([GaH3])(C)C
• Title of publication: Molecular structure of trimethylamine‒gallane, Me3N·GaH3: ab initio calculations, gas-phase electron diffraction and single-crystal X-ray diffraction studies †
• Authors of publication: Brain, Paul T.; Brown, Helen E.; Downs, Anthony J.; Greene, Tim M.; Johnsen, Emma; Parsons, Simon; Rankin, David W. H.; Smart, Bruce A.; Tang, Christina Y.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 21
• Pages of publication: 3685
• a: 9.2971 ± 0.0009 Å
• b: 9.2971 ± 0.0009 Å
• c: 6.6646 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 498.88 ± 0.12 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for all reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.0639
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No