Information card for entry 7021049

Structure parameters

• Formula: C33 H39 Cl F6 O P2 Ru S
• Calculated formula: C33 H39 Cl F6 O P2 Ru S
• 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: 11.0143 ± 0.0002 Å
• b: 13.0922 ± 0.0002 Å
• c: 23.2592 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3354.01 ± 0.1 ų
• Cell temperature: 116 K
• Ambient diffraction temperature: 116 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No