Information card for entry 8107123

Structure parameters

• Formula: C60 H76 N18 Nd2 O32
• Calculated formula: C60 H76 N18 Nd2 O32
• Title of publication: Crystal structure of hexaaqua-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl) propionato-κ3O,O′:O′)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κO)-bis(3-(3-pyridin-4-yl-[1,2,4]oxadiazol-5-yl)propionato-κ2O,O′)dineodymium(III) octahydrate, C60H76N18O32Nd2
• Authors of publication: Zhang, Fang; Huang, Fang; Zhang, Zhaoqun; Lu, Yanhua; Chen, Qifan; Liu, Fei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1135 - 1137
• a: 10.609 ± 0.005 Å
• b: 31.215 ± 0.005 Å
• c: 12.407 ± 0.004 Å
• α: 90°
• β: 116.54 ± 0.03°
• γ: 90°
• Cell volume: 3676 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No