Information card for entry 1565647

Structure parameters

• Formula: C54 H52 Dy2 N6 O12
• Calculated formula: C54 H52 Dy2 N6 O12
• SMILES: C1(=[O][Dy]2345([N](=Cc6c(O2)cccc6)N=C2C(C)=[N]([Dy]678([N](=Cc9c(O7)cccc9)N=C([O]46)C(=[N]5O)C)([O]32)([OH]CC)OC(=CC(=[O]8)c2ccccc2)c2ccccc2)O)([OH]CC)OC(=C1)c1ccccc1)c1ccccc1
• Title of publication: Solvent-driven structures and slow magnetic relaxation behaviors of dinuclear dysprosium clusters
• Authors of publication: Li, Xiu-Hua; Li, Meng; Gao, Ning; Wei, Hai-Ying; Hou, Yin-Ling; Wu, Zhi-Lei
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 500
• Pages of publication: 119242
• a: 17.034 ± 0.0008 Å
• b: 9.273 ± 0.0004 Å
• c: 19.0118 ± 0.0009 Å
• α: 90°
• β: 90.381 ± 0.001°
• γ: 90°
• Cell volume: 3003 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No