Information card for entry 4309706

Structure parameters

• Formula: C144 H72 Cl84 Mn3 O24
• Calculated formula: C144 H72 Cl84 Mn3 O24
• SMILES: C1(c2c(c(c(c(c2Cl)Cl)[C](c2c(c(Cl)c(c(c2Cl)Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl)=[O][Mn]234(OC(c5c(c(c(c(c5Cl)Cl)[C](c5c(c(c(c(c5Cl)Cl)Cl)Cl)Cl)c5c(c(c(c(c5Cl)Cl)Cl)Cl)Cl)Cl)Cl)=[O][Mn](O1)([O]=C(c1c(c(c(c(c1Cl)Cl)[C](c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl)Cl)O2)([OH]CC)([OH]CC)[OH]CC)[O]=C(c1c(c(c(c(c1Cl)Cl)[C](c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl)Cl)O[Mn]([O]=C(c1c(c(c(c(c1Cl)Cl)[C](c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl)Cl)O3)(OC(c1c(c(c(c(c1Cl)Cl)[C](c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl)Cl)=[O]4)([OH]CC)([OH]CC)[OH]CC.OCC.OCC.OCC.OCC.OCC.OCC
• Title of publication: An Unusually Stable Trinuclear Manganese(II) Complex Bearing Bulk Carboxylic Radical Ligands
• Authors of publication: Daniel Maspoch; Jordi Gómez-Segura; Neus Domingo; Daniel Ruiz-Molina; Klaus Wurst; Concepció Rovira; Javier Tejada; Jaume Veciana
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6936 - 6938
• a: 24.556 ± 0.0003 Å
• b: 24.556 ± 0.0002 Å
• c: 59.4158 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 31027.6 ± 0.5 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No