Information card for entry 1544982

Structure parameters

• Chemical name: Ga[OSi(OtBu)3]3(thf)
• Formula: C40 H89 Ga O13 Si3
• Calculated formula: C40 H89 Ga O13 Si3
• SMILES: [Ga]([O]1CCCC1)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
• Title of publication: Silica-supported isolated gallium sites as highly active, selective and stable propane dehydrogenation catalysts
• Authors of publication: Searles, Keith; Siddiqi, Georges; Safonova, Olga V.; Copéret, Christophe
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 2661
• a: 18.0886 ± 0.0005 Å
• b: 25.2724 ± 0.001 Å
• c: 26.1157 ± 0.001 Å
• α: 62.983 ± 0.004°
• β: 89.953 ± 0.003°
• γ: 89.655 ± 0.003°
• Cell volume: 10635.5 ± 0.8 ų
• Cell temperature: 100 ± 1.7 K
• Ambient diffraction temperature: 100 ± 1.7 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: 0.1188
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No