Information card for entry 1565793

Structure parameters

• Formula: C84 H84 Ce O7 Si4
• Calculated formula: C84 H84 Ce O7 Si4
• SMILES: c1(ccccc1)[Si](c1ccccc1)(O[Ce](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[O]1CCCC1)c1ccccc1.O1CCCC1
• Title of publication: Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides
• Authors of publication: Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 681 - 691
• a: 16.5246 ± 0.0006 Å
• b: 23.1693 ± 0.0009 Å
• c: 21.7608 ± 0.0008 Å
• α: 90°
• β: 95.951 ± 0.004°
• γ: 90°
• Cell volume: 8286.5 ± 0.5 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No