Information card for entry 4317686

Structure parameters

• Chemical name: [Mn2III,III(O)(terpy)2(CF3CO2)4].H20.2CH2Cl2
• Formula: C40 H28 Cl4 F12 Mn2 N6 O10
• Calculated formula: C40 H26 Cl4 F12 Mn2 N6 O10
• 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: 18.528 ± 0.002 Å
• b: 16.6292 ± 0.0016 Å
• c: 16.9803 ± 0.0017 Å
• α: 90°
• β: 117.838 ± 0.002°
• γ: 90°
• Cell volume: 4626.3 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1735
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2302
• Weighted residual factors for all reflections included in the refinement: 0.2519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.262
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No