Information card for entry 7026910

Structure parameters

• Formula: C30 H27 F6 P Ru2 S3
• Calculated formula: C30 H27 F6 P Ru2 S3
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]6[cH]1[Ru]1723456[S](c2ccccc2)[Ru]23456([cH]8[cH]6[cH]5[cH]4[cH]3[cH]28)([S]1c1ccccc1)[S]7c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Thiophenolato-bridged dinuclear arene ruthenium complexes: a new family of highly cytotoxic anticancer agents.
• Authors of publication: Gras, Michaël; Therrien, Bruno; Süss-Fink, Georg; Zava, Olivier; Dyson, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10305 - 10313
• a: 39.0178 ± 0.0015 Å
• b: 10.4836 ± 0.0003 Å
• c: 30.5653 ± 0.0013 Å
• α: 90°
• β: 106.929 ± 0.003°
• γ: 90°
• Cell volume: 11960.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No