Information card for entry 1564573

Structure parameters

• Formula: C34 H37 N10 O17 Pr
• Calculated formula: C34 H37 N10 O17 Pr
• SMILES: [Pr]123([O]=C(O1)c1cc4[nH]c(nc4cc1)c1ccc([n+]4c[nH]cc4)cc1)([O]=C(O2)c1cc2nc([nH]c2cc1)c1ccc(n2cncc2)cc1)([O]=N(O3)=O)([OH2])([OH2])[OH2].O.O=N(=O)[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: 16.0211 ± 0.0009 Å
• b: 11.9141 ± 0.0006 Å
• c: 20.3289 ± 0.0009 Å
• α: 90°
• β: 101.471 ± 0.002°
• γ: 90°
• Cell volume: 3802.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No