Information card for entry 7218727

Structure parameters

• Formula: C32 H46 Er2 N24 O26
• Calculated formula: C32 H46 Er2 N24 O26
• SMILES: c1(c(ccc(c1)/N=N/c1[n-]nnn1)O)C1=[O][Er]2(O1)([O]=C(c1c(O)ccc(c1)/N=N/c1nn[nH]n1)O[Er]1([O]=C(c3c(ccc(c3)/N=N/c3[n-]nnn3)O)O1)([O]=C(c1c(O)ccc(/N=N/c3nn[nH]n3)c1)O2)([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O
• Title of publication: Syntheses, Supramolecular Structures, Magnetic and Photochromic Properties of Six Lanthanide Complexes Based on 5-Azotetrazolyl Salicylic Acid Ligand
• Authors of publication: Chen, Wen-Bin; Li, Zhi-Xin; Ouyang, Zhi-Jian; Lin, Wen-Ning; Yang, Liu; Dong, Wen
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 9.7064 ± 0.0014 Å
• b: 12.008 ± 0.0017 Å
• c: 12.7434 ± 0.0018 Å
• α: 110.523 ± 0.006°
• β: 94.782 ± 0.007°
• γ: 105.108 ± 0.007°
• Cell volume: 1317.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No