Information card for entry 1564572

Structure parameters

• Formula: C34 H38 N8 O12 Tb
• Calculated formula: C34 H38 N8 O12 Tb
• SMILES: [OH2][Tb]12([O]=C(c3ccc4c(c3)[nH]c(c3ccc(n5ccnc5)cc3)n4)O1)([O]=C(c1ccc3c(c1)[nH]c(c1ccc(n4ccnc4)cc1)n3)O2)([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Lanthanide complexes based on the linear bifunctional ligand: Synthesis, structure regulation and magnetic properties
• Authors of publication: Lan, Hai-Ming; Yang, Ru-Xia; Yang, Li-Zhen; Zhu, Peng-Yin; Wang, Lu-Lu; Yu, Yu-Ming; Wang, Duo-Zhi
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 508
• Pages of publication: 119593
• a: 19.2186 ± 0.0011 Å
• b: 11.9541 ± 0.0007 Å
• c: 17.4051 ± 0.0009 Å
• α: 90°
• β: 111.285 ± 0.002°
• γ: 90°
• Cell volume: 3725.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No