Information card for entry 4135441

Structure parameters

• Formula: C40 H40 Cl14 F6 N2 O2 Ru2
• Calculated formula: C40 H40 Cl14 F6 N2 O2 Ru2
• 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: 9.194 ± 0.0004 Å
• b: 12.409 ± 0.0005 Å
• c: 13.3632 ± 0.0006 Å
• α: 67.1523 ± 0.0014°
• β: 70.2511 ± 0.0015°
• γ: 78.9093 ± 0.0015°
• Cell volume: 1319.04 ± 0.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No