Information card for entry 4107983

Structure parameters

• Formula: C41 H27 Cl3 N6 O6 Ru
• Calculated formula: C41 H27 Cl3 N6 O6 Ru
• SMILES: [Ru]123(Oc4cc5OC6=CC(=O)C=CC6=Nc5cc4)([n]4c5ccccc5ccc4C(=O)N1c1cc(c(cc1N2C(=O)c1[n]3c2c(cc1)cccc2)C)C)N=O.C(Cl)(Cl)Cl
• Title of publication: Sensitization of Ruthenium Nitrosyls to Visible Light via Direct Coordination of the Dye Resorufin: Trackable NO Donors for Light-Triggered NO Delivery to Cellular Targets
• Authors of publication: Michael J. Rose; Nicole L. Fry; Rebecca Marlow; Lindsay Hinck; Pradip K. Mascharak
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 8834 - 8846
• a: 12.3639 ± 0.0014 Å
• b: 17.278 ± 0.002 Å
• c: 18.019 ± 0.002 Å
• α: 90°
• β: 113.317 ± 0.001°
• γ: 90°
• Cell volume: 3534.9 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2631
• Weighted residual factors for all reflections included in the refinement: 0.2811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No