Information card for entry 4317345

Structure parameters

• Formula: C68 H140 Mn4 N4 O40 Sm4
• Calculated formula: C68 H140 Mn4 N4 O40 Sm4
• SMILES: C1C[O]2[Mn]3456[N]1(CC[O]3[Sm]137([O]8[Mn]9%10%11([N](CCCC)(CC8)CC[O]9[Sm]89([O]=C[O]3%10)([O]%11C)(OC(=O)CC)([OH]C)[O]3CC[N]%10(CC[O]%11[Mn]%123%10([O]8C=[O][Sm]38%11([O]%10CC[N]%11(CC[O]%13[Mn]%14%10%11([O]3C=[O][Sm]2%13([O]4C=[O]1)([O]%14C)([O]=C(CC)O6)(OC(=O)CC)[OH]C)[O]=C(CC)O8)CCCC)([O]%12C)(OC(=O)CC)[OH]C)[O]=C(CC)O9)CCCC)[O]=C(CC)O7)([O]5C)(OC(=O)CC)[OH]C)CCCC
• Title of publication: A Family of 3d-4f Octa-Nuclear [MnIII4LnIII4] Wheels (Ln = Sm, Gd, Tb, Dy, Ho, Er, and Y): Synthesis, Structure, and Magnetism
• Authors of publication: Mengyuan Li; Yanhua Lan; Ayuk M. Ako; Wolfgang Wernsdorfer; Christopher E. Anson; Gernot Buth; Annie K. Powell; Zheming Wang; Song Gao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11587 - 11594
• a: 40.1853 ± 0.0016 Å
• b: 8.7686 ± 0.0004 Å
• c: 33.6509 ± 0.0014 Å
• α: 90°
• β: 126.332 ± 0.002°
• γ: 90°
• Cell volume: 9552.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.263
• Weighted residual factors for all reflections included in the refinement: 0.2888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No