Information card for entry 7024056

Structure parameters

• Formula: C60 H70 F12 Mn2 N4 O10 P2
• Calculated formula: C60 H50 F12 Mn2 N4 O10 P2
• SMILES: [Mn]123(Oc4ccc(c5c6Oc7c(cccc7C(c6ccc5)(C)C)c5ccc6O[Mn]78(Oc9ccccc9C=[N]8[C@H]8[C@H]([N]7=Cc6c5)CCCC8)([OH]C)[OH]C)cc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2c(O1)cccc2)([OH]C)[OH]C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OC
• Title of publication: Synthesis and characterization of xanthene-bridged Schiff-base dimanganese(III) complexes: bimetallic catalysts for asymmetric oxidation of sulfides.
• Authors of publication: Hirotsu, Masakazu; Ohno, Naoki; Nakajima, Takashi; Kushibe, Chie; Ueno, Keiji; Kinoshita, Isamu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 139 - 148
• a: 7.822 ± 0.0013 Å
• b: 13.9842 ± 0.0016 Å
• c: 15.372 ± 0.002 Å
• α: 71.281 ± 0.008°
• β: 88.558 ± 0.01°
• γ: 76.806 ± 0.008°
• Cell volume: 1548.4 ± 0.4 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No