Information card for entry 8106112

Structure parameters

• Formula: C60 H76 Er2 N18 O32
• Calculated formula: C60 H76 Er2 N18 O32
• Title of publication: The crystal structure of hexaaqua-bis(μ2-3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κ2 O:O′)-tetrakis(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κO)dierbium(III) octahydrate, C60H76N18O32Er2
• Authors of publication: Zhang, Fang; Huang, Fang; Huang, Xiaodong; Lu, Yanhua; Chen, Qifan; Liu, Fei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 243 - 245
• a: 10.5441 ± 0.0004 Å
• b: 31.1092 ± 0.0009 Å
• c: 12.0993 ± 0.0004 Å
• α: 90°
• β: 114.398 ± 0.004°
• γ: 90°
• Cell volume: 3614.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No