Information card for entry 7218726

Structure parameters

• Formula: C16 H33 Er N12 O18
• Calculated formula: C16 H33 Er N12 O18
• SMILES: [Er](OC(=O)c1c(O)ccc(c1)N=Nc1n[nH]nn1)(OC(=O)c1c(O)ccc(c1)N=Nc1[n]nnn1)([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: 12.9043 ± 0.0008 Å
• b: 13.7369 ± 0.0008 Å
• c: 18.117 ± 0.001 Å
• α: 85.446 ± 0.003°
• β: 77.264 ± 0.003°
• γ: 83.393 ± 0.003°
• Cell volume: 3106.9 ± 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: 0.0298
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No