Information card for entry 7003001

Structure parameters

• Formula: C40 H36 Cl O6 P2 Ru
• Calculated formula: C40 H36 Cl O6 P2 Ru
• SMILES: [Ru]123(Cl)([P](c4c(O1)cccc4)(c1c(O2)cccc1)c1c(OC)cccc1)[P](c1c([O]3C)cccc1)(c1c(OC)cccc1)c1c(OC)cccc1
• Title of publication: A novel ruthenium(iii) complex with a tridentate dianionic P,O,O-ligand showing high cytotoxic activity
• Authors of publication: van Rijn, Jimmy A.; Marqués-Gallego, Patricia; Reedijk, Jan; Lutz, Martin; Spek, Anthony L.; Bouwman, Elisabeth
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 48
• Pages of publication: 10727 - 10730
• a: 12.0095 ± 0.0006 Å
• b: 17.2366 ± 0.0005 Å
• c: 18.9807 ± 0.0005 Å
• α: 90°
• β: 115.639 ± 0.002°
• γ: 90°
• Cell volume: 3542.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7030545
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No