Information card for entry 7055085

Structure parameters

• Formula: C53 H45 Dy F6 N5 O8.5 S2
• Calculated formula: C53 H45 Dy F6 N5 O8.5 S2
• Title of publication: Rhodamine-based field-induced single molecule magnets in Yb(iii) and Dy(iii) series
• Authors of publication: Huang, Wei; Xu, Jun; Wu, Dayu; Huang, Xingcai; Jiang, Jun
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 8650
• a: 13.001 ± 0.003 Å
• b: 14.9878 ± 0.0017 Å
• c: 15.6387 ± 0.0019 Å
• α: 117.175 ± 0.002°
• β: 95.878 ± 0.003°
• γ: 92.955 ± 0.003°
• Cell volume: 2680 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No