Information card for entry 7016925

Structure parameters

• Formula: C10 H30 B Cl F4 O5 Ru S5
• Calculated formula: C10 H30 B Cl F4 O5 Ru S5
• SMILES: [Ru](Cl)([S](=O)(C)C)([S](=O)(C)C)([S](=O)(C)C)([O]=S(C)C)[O]=S(C)C.[B](F)(F)(F)[F-]
• Title of publication: New half sandwich-type Ru(ii) coordination compounds characterized by the fac-Ru(dmso-S)(3) fragment: influence of the face-capping group on the chemical behavior and in vitro anticancer activity.
• Authors of publication: Bratsos, Ioannis; Simonin, Camilla; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 37
• Pages of publication: 9533 - 9543
• a: 10.925 ± 0.0011 Å
• b: 18.062 ± 0.0017 Å
• c: 12.049 ± 0.0012 Å
• α: 90°
• β: 91.175 ± 0.011°
• γ: 90°
• Cell volume: 2377.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No