Information card for entry 8106907

Structure parameters

• Formula: C60 H76 Gd2 N18 O32
• Calculated formula: C60 H76 Gd2 N18 O32
• Title of publication: The crystal structure of hexaqua(μ2-3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-1κ2 O,O′;2κO′)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κO)(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κ2 O,O′)digadolinium(III) octahydrate, C60H76Gd2N18O32
• Authors of publication: Chen, Qifan; Huang, Fang; Quan, Wenjing; Lu, Yanhua; Zhang, Fang; Liu, Fei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 457 - 460
• a: 10.56 ± 0.005 Å
• b: 31.243 ± 0.005 Å
• c: 12.383 ± 0.004 Å
• α: 90°
• β: 116.51 ± 0.03°
• γ: 90°
• Cell volume: 3656 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No