Information card for entry 4341100

Structure parameters

• Formula: C39 H36 F12 N6 O3 P2 Ru
• Calculated formula: C39 H36 F12 N6 O3 P2 Ru
• SMILES: [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1c(C)ccc2c1c1[n]3c(ccc1c1OCCOc21)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Photoactive Ru(II) Complexes With Dioxinophenanthroline Ligands Are Potent Cytotoxic Agents.
• Authors of publication: Hidayatullah, Achmad N.; Wachter, Erin; Heidary, David K.; Parkin, Sean; Glazer, Edith C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10030 - 10032
• a: 9.7231 ± 0.0004 Å
• b: 12.8548 ± 0.0005 Å
• c: 31.9101 ± 0.001 Å
• α: 90°
• β: 93.038 ± 0.003°
• γ: 90°
• Cell volume: 3982.8 ± 0.3 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 7
• 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: 0.1188
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No