Information card for entry 1548484

Structure parameters

• Formula: C49 H36 F6 Mn2 N4 O10 S2
• Calculated formula: C49 H36 F6 Mn2 N4 O10 S2
• SMILES: c12ccccc1C=[N]1CC[N]3=Cc4ccccc4O[Mn]13(O2)(OC(=O)c1cc(C2=C(c3cc(C(=O)O[Mn]456(Oc7ccccc7C=[N]4CC[N]5=Cc4c(cccc4)O6)[OH2])sc3C)C(C(C2(F)F)(F)F)(F)F)c(C)s1)[OH2]
• Title of publication: Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex
• Authors of publication: Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita
• Journal of publication: Scientific Reports
• Year of publication: 2016
• Journal volume: 6
• Pages of publication: 23785
• a: 6.613 ± 0.005 Å
• b: 25.081 ± 0.019 Å
• c: 30.74 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5099 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 c n
• Hall space group symbol: P -2n 2a
• Residual factor for all reflections: 0.4995
• Residual factor for significantly intense reflections: 0.3013
• Weighted residual factors for significantly intense reflections: 0.5092
• Weighted residual factors for all reflections included in the refinement: 0.6549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No