Information card for entry 4317687

Structure parameters

• Chemical name: [Mn2III,III(O)(terpy)2(CF3CO2)4].3/2CH2Cl2
• Formula: C39.5 H25 Cl3 F12 Mn2 N6 O9
• Calculated formula: C39.5 H23 Cl3 F12 Mn2 N6 O9
• Title of publication: Two New Terpyridine Dimanganese Complexes: A Manganese(III,III) Complex with a Single Unsupported Oxo Bridge and a Manganese(III,IV) Complex with a Dioxo Bridge. Synthesis, Structure, and Redox Properties
• Authors of publication: Carole Baffert; Marie-Noëlle Collomb; Alain Deronzier; Jacques Pécaut; Julian Limburg; Robert H. Crabtree; Gary W. Brudvig
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1404 - 1411
• a: 14.447 ± 0.004 Å
• b: 15.875 ± 0.005 Å
• c: 20.926 ± 0.006 Å
• α: 93.488 ± 0.005°
• β: 94.889 ± 0.005°
• γ: 101.781 ± 0.006°
• Cell volume: 4666 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1298
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2068
• 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