Information card for entry 4516983

Structure parameters

• Formula: C68 H54 F18 N6 O16 S4 Tb2
• Calculated formula: C68 H54 F18 N6 O16 S4 Tb2
• Title of publication: Synthesis of Bis-β-Diketonate Lanthanide Complexes with an Azobenzene Bridge and Studies of Their Reversible Photo/Thermal Isomerization Properties.
• Authors of publication: Fu, Cai-Ye; Chen, Lu; Wang, Xuan; Lin, Li-Rong
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 13
• Pages of publication: 15530 - 15538
• a: 9.9699 ± 0.0004 Å
• b: 19.6079 ± 0.0008 Å
• c: 19.731 ± 0.0008 Å
• α: 90.217 ± 0.003°
• β: 91.986 ± 0.003°
• γ: 99.345 ± 0.003°
• Cell volume: 3803.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0733
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No