Information card for entry 7223852

Structure parameters

• Formula: C28 H40 Cl Mn N2 O8
• Calculated formula: C28 H40 Cl Mn N2 O8
• 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: 16.325 ± 0.001 Å
• b: 17.663 ± 0.001 Å
• c: 12.491 ± 0.001 Å
• α: 90°
• β: 115.434 ± 0.01°
• γ: 90°
• Cell volume: 3252.7 ± 0.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.1241
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.2818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No