Information card for entry 7019587

Structure parameters

• Formula: C10 H31 Cl2 N5 O2 Ru S
• Calculated formula: C10 H31 Cl2 N5 O2 Ru S
• SMILES: [Ru]123([NH]4CC[NH]1CC[NH]3CC4)([NH2]CC[NH2]2)[S](=O)(C)C.[Cl-].[Cl-].O
• 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: 33.027 ± 0.005 Å
• b: 8.391 ± 0.002 Å
• c: 15.971 ± 0.003 Å
• α: 90°
• β: 117.27 ± 0.02°
• γ: 90°
• Cell volume: 3934.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No