Information card for entry 7016558

Structure parameters

• Formula: C54 H24 F10 Mn2 N4 O4
• Calculated formula: C54 H24 F10 Mn2 N4 O4
• SMILES: c12ccccc2[O]2[Mn]34(n5c(=C(c6ccc(c7c(O4)cccc7)[n]36)c3c(F)c(F)c(F)c(F)c3F)ccc15)[O]1c3c(c4n5c(=C(c6ccc7c8c(cccc8)O[Mn]215[n]67)c1c(F)c(F)c(F)c(F)c1F)cc4)cccc3
• Title of publication: Dipyrrinphenol-Mn(iii) complex: synthesis, electrochemistry, spectroscopic characterisation and reactivity.
• Authors of publication: El Ghachtouli, Sanae; Wójcik, Karolina; Copey, Laurent; Szydlo, Florence; Framery, Eric; Goux-Henry, Catherine; Billon, Laurianne; Charlot, Marie-France; Guillot, Régis; Andrioletti, Bruno; Aukauloo, Ally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 36
• Pages of publication: 9090 - 9093
• a: 11.7563 ± 0.0016 Å
• b: 11.2145 ± 0.0013 Å
• c: 15.6509 ± 0.0018 Å
• α: 90°
• β: 100.273 ± 0.004°
• γ: 90°
• Cell volume: 2030.4 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No