Information card for entry 4345606

Structure parameters

• Formula: C49 H39 F9 La N7 O7
• Calculated formula: C49 H39 F9 La N7 O7
• SMILES: c1c(C2=CC(=[O][La]3456([O]=C(N[N]6(Cc6[n]4cccc6)Cc4[n]5cccc4)c4ccc(/N=N/c5ccc(cc5)N(C)C)cc4)(OC(=CC(=[O]3)C(F)(F)F)c3ccccc3)(O2)OC(=O)C(F)(F)F)C(F)(F)F)cccc1
• Title of publication: Functionalized Lanthanide(III) Complexes Constructed from Azobenzene Derivative and β-Diketone Ligands: Luminescent, Magnetic, and Reversible Trans-to-Cis Photoisomerization Properties.
• Authors of publication: Lin, Li-Rong; Tang, Hui-Hui; Wang, Yun-Guang; Wang, Xuan; Fang, Xue-Ming; Ma, Li-Hua
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 3889 - 3900
• a: 25.9806 ± 0.0011 Å
• b: 9.7415 ± 0.0004 Å
• c: 19.6248 ± 0.0007 Å
• α: 90°
• β: 95.271 ± 0.001°
• γ: 90°
• Cell volume: 4945.8 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.095
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No