Information card for entry 7229401

Structure parameters

• Formula: C39 H53 Dy N2 O6
• Calculated formula: C39 H53 Dy N2 O6
• SMILES: [Dy]1234(OC(=CC(=[O]1)C(C)C)C(C)C)([O]=C(C=C(O2)C(C)C)C(C)C)([O]=C(C(C)C)C=C(O3)C(C)C)[n]1cccc2c1c1[n]4cccc1cc2
• 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: 12.878 ± 0.005 Å
• b: 24.058 ± 0.005 Å
• c: 16.567 ± 0.005 Å
• α: 90°
• β: 128.376 ± 0.019°
• γ: 90°
• Cell volume: 4024 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No