Information card for entry 1543195

Structure parameters

• Formula: C31 H30 Cl2 N6 O2 Ru S
• Calculated formula: C31 H30 Cl2 N6 O2 Ru S
• SMILES: [Ru]123(Cl)([S](C)(C)=O)[n]4ccc5ccccc5c4Nc4cccc(c5cccc([n]25)Nc2c5ccccc5cc[n]32)[n]14.[Cl-].CO
• Title of publication: Green light-induced apoptosis in cancer cells by a tetrapyridyl ruthenium prodrug offering two trans coordination sites
• Authors of publication: van Rixel, V. H. S.; Siewert, B.; Hopkins, S. L.; Askes, S. H. C.; Busemann, A.; Siegler, M. A.; Bonnet, Sylvestre
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 4922
• a: 9.5443 ± 0.0003 Å
• b: 12.2675 ± 0.0003 Å
• c: 13.2983 ± 0.0004 Å
• α: 68.395 ± 0.003°
• β: 89.878 ± 0.002°
• γ: 84.475 ± 0.002°
• Cell volume: 1439.98 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0301
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No