Information card for entry 7019584

Structure parameters

• Formula: C12 H16 Cl N O2 Ru S3
• Calculated formula: C12 H16 Cl N O2 Ru S3
• SMILES: [Ru]123([S]4CC[S]1CC[S]2CC4)(Cl)[n]1ccccc1C(=O)O3
• Title of publication: New half sandwich Ru(ii) coordination compounds for anticancer activity.
• Authors of publication: Bratsos, Ioannis; Mitri, Elisa; Ravalico, Francesco; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 7358 - 7371
• a: 17.524 ± 0.005 Å
• b: 14.026 ± 0.003 Å
• c: 12.357 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3037.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No