Information card for entry 1546972

Structure parameters

• Formula: C91 H131.5 Dy K O13
• Calculated formula: C91 H131.5 Dy K O13
• SMILES: [DyH]12345678Oc9c(C[c]4%10[c]3([c]8([c]7([c]6([c]5%10C)Cc3c(O1)c(cc(c3)C)C13CC4CC(CC(C1)C4)C3)C)Cc1c(O2)c(cc(c1)C)C12CC3CC(CC(C1)C3)C2)C)cc(cc9C12CC3CC(C1)CC(C3)C2)C.[K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment
• Authors of publication: Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 21.7362 ± 0.0014 Å
• b: 30.613 ± 0.0019 Å
• c: 25.4472 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16932.8 ± 1.9 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.078
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No