Information card for entry 4345607

Structure parameters

• Formula: C49 H39 F9 Gd N7 O7
• Calculated formula: C49 H39 F9 Gd N7 O7
• SMILES: CN(c1ccc(cc1)/N=N/c1ccc(C2=[O][Gd]3456(OC(=CC(=[O]3)C(F)(F)F)c3ccccc3)(OC(=O)C(F)(F)F)(OC(=CC(=[O]5)C(F)(F)F)c3ccccc3)[N](N2)(Cc2[n]6cccc2)Cc2[n]4cccc2)cc1)C
• 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: 25.785 ± 0.005 Å
• b: 9.6947 ± 0.0017 Å
• c: 19.5 ± 0.003 Å
• α: 90°
• β: 96.132 ± 0.004°
• γ: 90°
• Cell volume: 4846.7 ± 1.5 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: 0.1253
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No