Information card for entry 4134554

Structure parameters

• Formula: C38 H28 Br2 F12 N8 P2 Ru
• Calculated formula: C38 H28 Br2 F12 N8 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: 11.4219 ± 0.0003 Å
• b: 12.376 ± 0.0003 Å
• c: 15.0464 ± 0.0004 Å
• α: 90.834 ± 0.002°
• β: 98.147 ± 0.002°
• γ: 101.02 ± 0.002°
• Cell volume: 2064.73 ± 0.09 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: 0.0488
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No