Information card for entry 7229403

Structure parameters

• Formula: C37 H47 Dy N2 O6
• Calculated formula: C37 H47 Dy N2 O6
• SMILES: c1cccc2c3cccc[n]3[Dy]345([n]12)(OC(=CC(C(C)C)=[O]3)C(C)C)([O]=C(C(C)C)C=C(C(C)C)O4)OC(=CC(C(C)C)=[O]5)C(C)C
• Title of publication: Asymmetry-unit-dominated double slow-relaxation modes of 2,6-dimethyl-3,5-heptanedione dysprosium SMMs
• Authors of publication: Shi, Chao; Nie, Rong; Yao, Xu; Fan, Siqi; An, Guanghui; Dong, Yanping; Li, Guangming
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 78
• Pages of publication: 49701
• a: 13.266 ± 0.005 Å
• b: 16.803 ± 0.005 Å
• c: 18.056 ± 0.005 Å
• α: 92.267 ± 0.005°
• β: 94.493 ± 0.005°
• γ: 92.591 ± 0.005°
• Cell volume: 4005 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.115
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No