Information card for entry 7018977

Structure parameters

• Formula: C32 H42 N16 O20 Sm2
• Calculated formula: C32 H42 N16 O20 Sm2
• SMILES: C1(c2cc(ccc2)c2[nH]nnn2)=[O][Sm]2([OH2])([OH2])([OH2])(OC(c3cc(ccc3)c3[nH]nnn3)=[O][Sm]3(O1)([O]=C(O3)c1cccc(c3[n-]nnn3)c1)([OH2])([OH2])([OH2])[OH2])([O]=C(O2)c1cccc(c2[n-]nnn2)c1)[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: 9.128 ± 0.003 Å
• b: 11.9957 ± 0.0015 Å
• c: 12.2137 ± 0.0015 Å
• α: 117.201 ± 0.001°
• β: 98.16 ± 0.002°
• γ: 99.347 ± 0.002°
• Cell volume: 1137.5 ± 0.4 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: 0.027
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No