Information card for entry 7123150

Structure parameters

• Formula: C41 H50 Cl2 N6 O3 Ru
• Calculated formula: C41 H50 Cl2 N6 O3 Ru
• Title of publication: The two isomers of a cyclometalated palladium sensitizer show distinct photodynamic properties in cancer cells
• Authors of publication: Zhou, Xue-Quan; Busemann, Anja; Meijer, Michael S.; Siegler, Maxime A.; Bonnet, Sylvestre
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.7702 ± 0.0004 Å
• b: 14.3952 ± 0.0009 Å
• c: 16.7553 ± 0.0006 Å
• α: 100.353 ± 0.004°
• β: 99.43 ± 0.003°
• γ: 99.857 ± 0.004°
• Cell volume: 2008.42 ± 0.18 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.053
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No