Information card for entry 4135442

Structure parameters

• Formula: C228 H192 F36 N24 O22 Ru8 S4 Zn2
• Calculated formula: C228 H192 F36 N24 O22 Ru8 S4 Zn2
• Title of publication: Tuning the Reactivity of Cofacial Porphyrin Prisms for Oxygen Reduction Using Modular Building Blocks
• Authors of publication: Crawley, Matthew R.; Zhang, Daoyang; Oldacre, Amanda N.; Beavers, Christine M.; Friedman, Alan E.; Cook, Timothy R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 41.929 ± 0.002 Å
• b: 28.768 ± 0.0014 Å
• c: 25.7008 ± 0.0014 Å
• α: 90°
• β: 127.726 ± 0.001°
• γ: 90°
• Cell volume: 24520 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.2043
• Residual factor for significantly intense reflections: 0.15
• Weighted residual factors for significantly intense reflections: 0.4041
• Weighted residual factors for all reflections included in the refinement: 0.4517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.555
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No