Information card for entry 7714305

Structure parameters

• Formula: C30 H39 N15 O16.5 Tb
• Calculated formula: C30 H39 N15 O16.5 Tb
• SMILES: [Tb]123([O]=Cc4cc(cc(OC)c4O2)/N=N/c2ncn[nH]2)([O]=Cc2c(O1)c(OC)cc(/N=N/c1ncn[nH]1)c2)([O]=Cc1c(O3)c(OC)cc(/N=N/c2ncn[nH]2)c1)([OH2])[OH2].O.O.O.O.O.O
• Title of publication: LnIII/MnII-LnIII complexes derived from salicylic azo dye ligand: synthesis, structures, magnetic and fluorescent properties
• Authors of publication: Kuang, Xiao-Man; Li, You-Hong; Yang, Meng; Dong, Wen; Leng, Ji-Dong
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 18.555 ± 0.0004 Å
• b: 24.2497 ± 0.0005 Å
• c: 20.6085 ± 0.0005 Å
• α: 90°
• β: 100.863 ± 0.002°
• γ: 90°
• Cell volume: 9106.7 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0964
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No