Information card for entry 4317760

Structure parameters

• Chemical name: [Mn2(O2CCH3)3(bpea)2](PF6)
• Formula: C34 H43 F6 Mn2 N6 O6 P
• Calculated formula: C34 H43 F6.02 Mn2 N6 O6 P
• Title of publication: A Dinuclear Manganese(II) Complex with the {Mn2(μ-O2CCH3)3}+ Core: Synthesis, Structure, Characterization, Electroinduced Transformation, and Catalase-like Activity
• Authors of publication: Isabel Romero; Lionel Dubois; Marie-Noëlle Collomb; Alain Deronzier; Jean-Marc Latour; Jacques Pécaut
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1795 - 1806
• a: 12.5686 ± 0.0016 Å
• b: 14.4059 ± 0.0016 Å
• c: 22.515 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4076.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No