Information card for entry 1565796

Structure parameters

• Formula: C111 H99 K2 Nd O5 Si5
• Calculated formula: C111 H99 K2 Nd O5 Si5
• 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: 19.0352 ± 0.0002 Å
• b: 23.9418 ± 0.0002 Å
• c: 22.3713 ± 0.0003 Å
• α: 90°
• β: 92.2121 ± 0.001°
• γ: 90°
• Cell volume: 10187.8 ± 0.19 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No