Information card for entry 7021048

Structure parameters

• Formula: C30 H33 Cl3 F6 P2 Ru S
• Calculated formula: C30 H33 Cl3 F6 P2 Ru S
• SMILES: c1(ccccc1)[P]1(C[S](c2ccccc2)[Ru]123456([cH]1[cH]2[c]3([cH]4[cH]5[c]16C(C)C)C)Cl)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Cationic arene ruthenium(ii) complexes with chelating P-functionalized alkyl phenyl sulfide and sulfoxide ligands as potent anticancer agents.
• Authors of publication: Ludwig, Gerd; Kaluđerović, Goran N; Rüffer, Tobias; Bette, Martin; Korb, Marcus; Block, Michael; Paschke, Reinhard; Lang, Heinrich; Steinborn, Dirk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 3771 - 3774
• a: 10.148 ± 0.002 Å
• b: 10.774 ± 0.003 Å
• c: 16.677 ± 0.006 Å
• α: 81.18 ± 0.02°
• β: 79.32 ± 0.02°
• γ: 68.398 ± 0.017°
• Cell volume: 1658.7 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No