Information card for entry 7019585

Structure parameters

• Formula: C11 H31 Cl2 N3 O3 Ru S2
• Calculated formula: C11 H31 Cl2 N3 O3 Ru S2
• SMILES: [Ru]12(Cl)([S](=O)(C)C)([S](=O)(C)C)[NH]3CC[NH]1CC[NH]2CC3.[Cl-].OC
• 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: 8.235 ± 0.003 Å
• b: 16.651 ± 0.004 Å
• c: 29.04 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3982 ± 1.8 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: 0.0632
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No