Information card for entry 4328650

Structure parameters

• Formula: C28 H29 Cl2 N4 O P Ru
• Calculated formula: C28 H29 Cl2 N4 O P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P]67CN8CN(C6)CN(C7)C8)[c]6([cH]1[cH]2[cH]3[cH]4[cH]56)CNC(=O)c1c2ccccc2cc2ccccc12
• Title of publication: Anthracene-Tethered Ruthenium(II) Arene Complexes as Tools To Visualize the Cellular Localization of Putative Organometallic Anticancer Compounds
• Authors of publication: Alexey A. Nazarov; Julie Risse; Wee Han Ang; Frederic Schmitt; Olivier Zava; Albert Ruggi; Michael Groessl; Rosario Scopelitti; Lucienne Juillerat-Jeanneret; Christian G. Hartinger; Paul J. Dyson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3633 - 3639
• a: 17.1875 ± 0.0004 Å
• b: 12.9255 ± 0.0003 Å
• c: 13.732 ± 0.0004 Å
• α: 90°
• β: 93.548 ± 0.002°
• γ: 90°
• Cell volume: 3044.81 ± 0.13 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No