Information card for entry 4107984

Structure parameters

• Formula: C40 H26 N6 O8 Ru
• Calculated formula: C40 H26 N6 O8 Ru
• SMILES: [Ru]123(Oc4cc5OC6=CC(=O)C=CC6=Nc5cc4)([n]4c5ccccc5ccc4C(=O)N1c1cc(OC)c(OC)cc1N2C(=O)c1[n]3c2c(cc1)cccc2)N=O
• 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: 12.149 ± 0.002 Å
• b: 16.232 ± 0.003 Å
• c: 17.971 ± 0.004 Å
• α: 90°
• β: 108.15 ± 0.03°
• γ: 90°
• Cell volume: 3367.6 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0442
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No