Information card for entry 4334063

Structure parameters

• Formula: C17 H18 F6 N3 Os P
• Calculated formula: C17 H18 F6 N3 Os P
• SMILES: c12ccccc1C1=[N](CCN1)[Os]134562([cH]2[cH]1[cH]3[cH]4[cH]5[cH]62)[N]#CC.[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: 11.7105 ± 0.0002 Å
• b: 9.8464 ± 0.0002 Å
• c: 16.34 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1884.1 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No