Information card for entry 7030854

Structure parameters

• Formula: C32 H46 N24 O26 Tb2
• Calculated formula: C32 H46 N24 O26 Tb2
• SMILES: c1(c(O)ccc(c1)/N=N/c1[nH]nnn1)C1=[O][Tb]2(O1)([O]=C(c1c(O)ccc(/N=N/c3[n-]nnn3)c1)O[Tb]1([O]=C(c3c(ccc(c3)/N=N/c3[nH]nnn3)O)O1)([O]=C(c1c(O)ccc(/N=N/c3[n-]nnn3)c1)O2)([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])[OH2].O.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: 9.6491 ± 0.0013 Å
• b: 11.968 ± 0.0017 Å
• c: 12.9137 ± 0.0018 Å
• α: 110.617 ± 0.002°
• β: 94.603 ± 0.002°
• γ: 105.596 ± 0.002°
• Cell volume: 1318.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0238
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No