Information card for entry 4339669

Structure parameters

• Formula: C36 H50 Ce3 Mn2 N6 O30
• Calculated formula: C36 H50 Ce3 Mn2 N6 O30
• SMILES: C1(C)=[O][Mn]2345[O]6[Ce]789%10([O]2[Ce]2%11%12([O]3[Ce]3%13%146([O]8[Mn]([O]23)([O]%10%11)(OC(=[O]%12)C)([O]=C(C)O9)[O]=C(C)O%13)([O]=c2cccc([nH]2)C)(OC(=[O]4)C)[O]=N(=O)O%14)(O1)([O]=c1[nH]c(ccc1)C)[O]=c1[nH]c(ccc1)C)(OC(=[O]5)C)([O]=N(=O)O7)[O]=c1cccc([nH]1)C.O.O
• Title of publication: Mixed transition metal-lanthanide complexes at high oxidation states: heteronuclear CeIVMnIV clusters.
• Authors of publication: Tasiopoulos, Anastasios J.; Milligan, Jr, Paul L; Abboud, Khalil A.; O'Brien, Ted A; Christou, George
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9678 - 9691
• a: 22.6707 ± 0.0012 Å
• b: 14.8735 ± 0.0008 Å
• c: 15.7286 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5303.6 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No