Information card for entry 7055086

Structure parameters

• Formula: C54 H48 F6 N5 O9 S2 Tb
• Calculated formula: C54 H48 F6 N5 O9 S2 Tb
• 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: 13.0712 ± 0.0013 Å
• b: 15.13 ± 0.0007 Å
• c: 15.7825 ± 0.0007 Å
• α: 118.258 ± 0.003°
• β: 97.533 ± 0.004°
• γ: 91.684 ± 0.004°
• Cell volume: 2710.6 ± 0.3 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: 0.0914
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0612
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No