Information card for entry 4317759

Structure parameters

• Chemical name: [Mn(bpea)2](PF6)2
• Formula: C28 H44 F12 Mn N6 P2
• Calculated formula: C28 H33 F12 Mn N6 P2
• 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: 11.9288 ± 0.0007 Å
• b: 22.5424 ± 0.0013 Å
• c: 13.0773 ± 0.0007 Å
• α: 90°
• β: 100.578 ± 0.001°
• γ: 90°
• Cell volume: 3456.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No