Information card for entry 7010215

Structure parameters

• Formula: C6 H20 B Ga O
• Calculated formula: C6 H20 B Ga O
• SMILES: [Ga](C)(C)([H][BH3])[O](CC)CC
• Title of publication: Structural characterisation of dimethylgallium tetrahydroborate and its adducts with diethyl ether and tetrahydrofuran
• Authors of publication: Konietzny, Stefan; Fleischer, Holger; Parsons, Simon; Pulham, Colin R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 304
• a: 7.4628 ± 0.0012 Å
• b: 7.8998 ± 0.0013 Å
• c: 10.539 ± 0.002 Å
• α: 87.926 ± 0.009°
• β: 77.525 ± 0.01°
• γ: 64.083 ± 0.008°
• Cell volume: 544.44 ± 0.17 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.0735
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No