Information card for entry 7010216

Structure parameters

• Formula: C6 H18 B Ga O
• Calculated formula: C6 H18 B Ga O
• SMILES: [Ga]([H][BH3])(C)(C)[O]1CCCC1
• 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: 11.5311 ± 0.0015 Å
• b: 7.6473 ± 0.0013 Å
• c: 12.552 ± 0.002 Å
• α: 90°
• β: 115.422 ± 0.009°
• γ: 90°
• Cell volume: 999.7 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for all reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.0566
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No