Information card for entry 4334062

Structure parameters

• Formula: C23 H28 F6 N O P Ru S
• Calculated formula: C23 H28 F6 N O P Ru S
• SMILES: c12ccccc1c1cccc[n]1[Ru]134562([c]2([cH]1[cH]3[c]4([cH]5[cH]62)C)C(C)C)[S](C)(C)=O.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cancer Cell Cytotoxicity of Cyclometalated Compounds Obtained with Osmium(II) Complexes
• Authors of publication: Bastien Boff; Christian Gaiddon; Michel Pfeffer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2705 - 2715
• a: 8.9594 ± 0.0006 Å
• b: 12.4581 ± 0.0009 Å
• c: 44.2 ± 0.003 Å
• α: 90°
• β: 90.19 ± 0.001°
• γ: 90°
• Cell volume: 4933.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0598
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.383
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No