Information card for entry 7229404

Structure parameters

• Formula: C37 H53 Lu N2 O6
• Calculated formula: C37 H52.5 Lu N2 O6
• SMILES: [Lu]1234(OC(=CC(=[O]2)C(C)C)C(C)C)(OC(=CC(=[O]1)C(C)C)C(C)C)(OC(=CC(=[O]3)C(C)C)C(C)C)[n]1c(c2[n]4cccc2)cccc1
• 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: 12.91 ± 0.005 Å
• b: 16.376 ± 0.005 Å
• c: 17.851 ± 0.005 Å
• α: 90.622 ± 0.005°
• β: 94.243 ± 0.005°
• γ: 90.447 ± 0.005°
• Cell volume: 3763 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No