Information card for entry 7030856

Structure parameters

• Formula: C32 H46 N24 O26 Sm2
• Calculated formula: C32 H46 N24 O26 Sm2
• SMILES: c1(c(ccc(c1)/N=N/c1[nH]nnn1)O)C1=[O][Sm]234(O1)([O]=C(c1c(O)ccc(/N=N/c5[n-]nnn5)c1)O[Sm]1([O]=C(c5c(ccc(c5)/N=N/c5[nH]nnn5)O)O1)([O]=C(c1c(O)ccc(/N=N/c5[n-]nnn5)c1)O2)([OH2]3)([OH2]4)([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: 9.6865 ± 0.0012 Å
• b: 11.7997 ± 0.0014 Å
• c: 13.1112 ± 0.0016 Å
• α: 111.997 ± 0.002°
• β: 95.839 ± 0.002°
• γ: 104.792 ± 0.002°
• Cell volume: 1310.5 ± 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: 0.0282
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No