Information card for entry 7223851

Structure parameters

• Formula: C30 H21 F6 Mn O6
• Calculated formula: C30 H21 F6 Mn O6
• SMILES: C1(C=C(c2ccccc2)O[Mn]23([O]=1)([O]=C(C=C(c1ccccc1)O2)C(F)F)[O]=C(C=C(c1ccccc1)O3)C(F)F)C(F)F
• Title of publication: On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.
• Authors of publication: Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 5949 - 5956
• a: 18.583 ± 0.001 Å
• b: 18.583 ± 0.001 Å
• c: 14.503 ± 0.001 Å
• α: 90 ± 0°
• β: 90 ± 0°
• γ: 120 ± 0°
• Cell volume: 4337.3 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No