Information card for entry 4033359

Structure parameters

• Formula: C33 H28.5 N6.5 O2.5 Ru
• Calculated formula: C30 H22 N6 O2 Ru
• SMILES: [Ru]123(n4c(=O)cccc4c4n1c(=O)ccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1
• Title of publication: Ruthenium Dihydroxybipyridine Complexes are Tumor Activated Prodrugs Due to Low pH and Blue Light Induced Ligand Release
• Authors of publication: Kyle T. Hufziger; Fathima Shazna Thowfeik; David J. Charboneau; Ismael Nieto; William G. Dougherty; W. Scott Kassel; Timothy J. Dudley; Edward J. Merino; Elizabeth T. Papish; Jared J. Paul
• Journal of publication: Journal of Inorganic Biochemistry
• Year of publication: 2014
• Journal volume: 130
• Pages of publication: 103 - 111
• a: 9.4108 ± 0.0007 Å
• b: 12.2807 ± 0.0009 Å
• c: 13.0032 ± 0.001 Å
• α: 84.343 ± 0.004°
• β: 88.748 ± 0.004°
• γ: 73.877 ± 0.004°
• Cell volume: 1436.63 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No