Information card for entry 4134553

Structure parameters

• Formula: C41 H38.5 F12 N6 O1.25 P2 Ru
• Calculated formula: C41 H38.5 F12 N6 O1.25 P2 Ru
• Title of publication: Rationally Designed Long-Wavelength Absorbing Ru(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy.
• Authors of publication: Karges, Johannes; Heinemann, Franz; Jakubaszek, Marta; Maschietto, Federica; Subecz, Chloé; Dotou, Mazzarine; Vinck, Robin; Blacque, Olivier; Tharaud, Mickaël; Goud, Bruno; Viñuelas Zahı Nos, Emilio; Spingler, Bernhard; Ciofini, Ilaria; Gasser, Gilles
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 12.8029 ± 0.0003 Å
• b: 13.1575 ± 0.0002 Å
• c: 16.201 ± 0.0004 Å
• α: 79.9877 ± 0.0016°
• β: 75.692 ± 0.002°
• γ: 62.241 ± 0.002°
• Cell volume: 2334.63 ± 0.1 ų
• Cell temperature: 183 ± 1 K
• Ambient diffraction temperature: 183 ± 1 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: 0.0523
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No