Information card for entry 4326087

Structure parameters

• Formula: C90 H80 Cl4 Mn5 N26 O19
• Calculated formula: C82 H60 Cl4 Mn5 N26 O17
• SMILES: c12c3cc4c5[n](cccc5)[Mn]5678[n]4n3[Mn]34([n]9ccccc9c9n3[n]3c(c%10[n](cccc%10)[Mn]%10%11%123[n]3c(cc%13c%14cccc[n]%14[Mn]%14(n3%13)([n]3ccccc3c3cc(c%13[n]7cccc%13)n8[n]%143)[O]4[Mn]34([n]7ccccc7c7cc(n6[n]47)c4[n]5cccc4)[n]4ccccc4c4cc(n%12[n]34)c3[n]%11cccc3)c3[n]%10cccc3)c9)[n]2cccc1.N#CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.C(#N)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Multireversible Redox Processes in Pentanuclear Bis(Triple-Helical) Manganese Complexes Featuring an Oxo-Centered triangular {MnII2MnIII(μ3-O)}5+ or {MnIIMnIII2(μ3-O)}6+ Core Wrapped by Two {MnII2(bpp)3}-
• Authors of publication: Sophie Romain; Jordi Rich; Cristina Sens; Thibaut Stoll; Jordi Benet-Buchholz; Antoni Llobet; Montserrat Rodriguez; Isabel Romero; Rodolphe Clérac; Corine Mathonière; Carole Duboc; Alain Deronzier; Marie-Noëlle Collomb
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8427 - 8436
• a: 25.843 ± 0.005 Å
• b: 28.27 ± 0.005 Å
• c: 14.482 ± 0.003 Å
• α: 90°
• β: 93.709 ± 0.003°
• γ: 90°
• Cell volume: 10558 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.2201
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2296
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No