Information card for entry 1546967

Structure parameters

• Formula: C85 H121.45 Er K N2 O10
• Calculated formula: C85.0002 H121.45 Er K N2 O9.9999
• 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: 19.7501 ± 0.0006 Å
• b: 19.7501 ± 0.0006 Å
• c: 19.7501 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7703.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No