Information card for entry 4304977

Structure parameters

• Formula: C24 H52 Ce Mn8 N0 O40
• Calculated formula: C24 H36 Ce Mn8 O40
• SMILES: CC1=[O][Mn]2345[O]6[Ce]789%10%11%12[O]%13[Mn]%146([O]2C(C)=[O][Mn]26%13([O]7[Mn]7%13([O]8[Mn]8%15([O]9[Mn]%16%17([O]%10[Mn]%10%18([O]%12[Mn]([O]4%11)([O]1%10)([OH2])([O]=C(C)O%18)[O]=C(C)O5)([O]=C(C)[O]8%17)OC(C)=[O]%16)([OH2])[O]=C(C)O%15)([O]=C(C)[O]27)OC(C)=[O]%13)([OH2])[O]=C(C)O6)[O]=C(C)O%14)([OH2])[O]=C(C)O3.O.O.O.O
• Title of publication: Single-Molecule Magnets: A Family of MnIII/CeIV Complexes with a [Mn8CeO8]12+ Core
• Authors of publication: Abhudaya Mishra; Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Eleni E. Moushi; Brian Moulton; Michael J. Zaworotko; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4832 - 4843
• a: 23.947 ± 0.006 Å
• b: 23.947 ± 0.006 Å
• c: 9.953 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5708 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2115
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No