Information card for entry 7030857

Structure parameters

• Formula: C32 H46 Eu2 N24 O26
• Calculated formula: C32 H46 Eu2 N24 O26
• SMILES: O1C(=[O][Eu]21([O]=C(c1c(ccc(c1)/N=N/c1[n-]nnn1)O)O[Eu]1(OC(=[O]1)c1c(O)ccc(c1)/N=N/c1nnn[nH]1)([O]=C(O2)c1c(O)ccc(c1)/N=N/c1[n-]nnn1)([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])[OH2])c1cc(ccc1O)/N=N/c1nnn[nH]1.O.O.O.O.O
• Title of publication: Syntheses, structures and properties of 5-azotetrazolyl salicylic acid and its dilanthanide complexes.
• Authors of publication: Chen, Wen-Bin; Li, Zhi-Xin; Yu, Xin-Wei; Yang, Meng; Qiu, Yan-Xuan; Dong, Wen; Sun, Ya-Qiu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9090 - 9097
• a: 11.8805 ± 0.0002 Å
• b: 14.6591 ± 0.0003 Å
• c: 16.4889 ± 0.0003 Å
• α: 99.984 ± 0.001°
• β: 95.956 ± 0.001°
• γ: 110.326 ± 0.001°
• Cell volume: 2609.93 ± 0.09 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: 0.0292
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0621
• 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