Information card for entry 7012947

Structure parameters

• Formula: C8 H16 Br3 Ga O2
• Calculated formula: C8 H16 Br3 Ga O2
• SMILES: C1CCC[O]1[Ga](Br)([O]1CCCC1)(Br)Br
• Title of publication: Preparation and structure of soluble complexes of the ternary compounds GaSBr and GaSeBr
• Authors of publication: Nogai, Stefan D.; Schmidbaur, Hubert
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2488
• a: 10.5892 ± 0.0002 Å
• b: 10.1503 ± 0.0002 Å
• c: 12.6862 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1363.56 ± 0.04 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No