Information card for entry 4317958

Structure parameters

• Formula: C60 H64 Cl2 Mn4 N8 O20
• Calculated formula: C60 H64 Cl2 Mn4 N8 O20
• SMILES: O1[Mn]2345[n]6ccccc6c6cccc(CCc7cccc8c9cccc[n]9[Mn]([O]2[Mn]29%10%11[O]3[Mn]3([O]=C(C)O2)(OC(=[O]%10)C)[n]2c(c%10cccc(CCc%12cccc(c%13cccc[n]9%13)[n]%11%12)[n]3%10)cccc2)(OC(C)=[O]4)([O]=C1C)[n]78)[n]56.C1CCCO1.[O-]Cl(=O)(=O)=O.C1CCCO1.[O-]Cl(=O)(=O)=O
• Title of publication: Tetranuclear Manganese Complexes with Dimer-of-Dimer and Ladder Structures from the Use of a Bis-Bipyridyl Ligand
• Authors of publication: E. Carolina Sañudo; Vincent A. Grillo; Michael J. Knapp; John C. Bollinger; John C. Huffman; David N. Hendrickson; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2441 - 2450
• a: 12.017 ± 0.003 Å
• b: 12.197 ± 0.003 Å
• c: 12.343 ± 0.003 Å
• α: 73.293 ± 0.011°
• β: 78.025 ± 0.011°
• γ: 68.357 ± 0.01°
• Cell volume: 1600.1 ± 0.7 ų
• Cell temperature: 104 K
• Ambient diffraction temperature: 104 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.445
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No