Information card for entry 7018975

Structure parameters

• Formula: C32 H42 Er2 N16 O20
• Calculated formula: C32 H42 Er2 N16 O20
• SMILES: C1(c2cc(ccc2)c2[nH]nnn2)=[O][Er]2([O]=C(O2)c2cccc(c2)c2n[n-]nn2)([OH2])([OH2])([OH2])([OH2])OC(c2cc(ccc2)c2[nH]nnn2)=[O][Er]2([O]=C(O2)c2cccc(c2)c2[n-]nnn2)(O1)([OH2])([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: In situ hydrothermal synthesis of dysprosium(iii) single-molecule magnet with lanthanide salt as catalyst
• Authors of publication: Liang, Li; Peng, Guo; Li, Guizhu; Lan, Yanhua; Powell, Annie K.; Deng, Hong
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5816
• a: 9.169 ± 0.004 Å
• b: 11.884 ± 0.002 Å
• c: 12.081 ± 0.002 Å
• α: 117.455 ± 0.002°
• β: 98.129 ± 0.003°
• γ: 99.353 ± 0.003°
• Cell volume: 1116.9 ± 0.6 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: 0.0277
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No