Information card for entry 4126677

Structure parameters

• Formula: C312 H704 Cl76 Gd100 O616
• Calculated formula: C312 H704 Cl76 Gd100 O616
• Title of publication: Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling "Fingerprints" in Giant Gadolinium(III) Cages.
• Authors of publication: Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 24.503 ± 0.002 Å
• b: 25.028 ± 0.002 Å
• c: 42.535 ± 0.003 Å
• α: 90.571 ± 0.001°
• β: 103.56 ± 0.001°
• γ: 108.229 ± 0.001°
• Cell volume: 23987 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0998
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No