Information card for entry 7021051

Structure parameters

• Formula: C30.5 H34 Cl2 F6 O P2 Ru S
• Calculated formula: C30.5 H34 Cl2 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: 11.0122 ± 0.0004 Å
• b: 10.8492 ± 0.0003 Å
• c: 27.1047 ± 0.0009 Å
• α: 90°
• β: 99.695 ± 0.004°
• γ: 90°
• Cell volume: 3192.05 ± 0.18 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 8
• 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: 0.0371
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No