Information card for entry 4131243

Structure parameters

• Formula: C88.4 H84 Cl0.6 N9 O10 Ru
• Calculated formula: C88.4 H84 Cl0.6 N9 O10 Ru
• Title of publication: Intramolecular Light-Driven Accumulation of Reduction Equivalents by Proton-Coupled Electron Transfer.
• Authors of publication: Kuss-Petermann, Martin; Orazietti, Margherita; Neuburger, Markus; Hamm, Peter; Wenger, Oliver S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 14
• Pages of publication: 5225 - 5232
• a: 14.8148 ± 0.0009 Å
• b: 17.1489 ± 0.001 Å
• c: 17.8927 ± 0.001 Å
• α: 110.132 ± 0.004°
• β: 91.24 ± 0.004°
• γ: 106.843 ± 0.004°
• Cell volume: 4047.5 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections: 0.209
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0222
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No