Information card for entry 4107982

Structure parameters

• Formula: C32 H24 N6 O7 Ru
• Calculated formula: C32 H24 N6 O7 Ru
• SMILES: [Ru]123(Oc4ccc5N=C6C(Oc5c4)=CC(=O)C=C6)([n]4ccccc4C(=O)N1c1cc(c(cc1N2C(=O)c1[n]3cccc1)C)C)N=O.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: 10.0845 ± 0.0005 Å
• b: 10.7797 ± 0.0006 Å
• c: 15.0195 ± 0.0008 Å
• α: 76.057 ± 0.001°
• β: 71.396 ± 0.001°
• γ: 69.137 ± 0.001°
• Cell volume: 1430.94 ± 0.13 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No