Information card for entry 4334065

Structure parameters

• Formula: C34 H26 Cl2 F6 N5 O2 Os P
• Calculated formula: C34 H26 Cl2 F6 N5 O2 Os P
• SMILES: c1cccc2c3cccc4c5cccc[n]5[Os]56(c7c(c8cccc[n]58)cc(cc7c5cccc[n]65)C(=O)OC)([n]12)[n]34.C(Cl)Cl.[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: 9.0078 ± 0.0002 Å
• b: 13.9936 ± 0.0006 Å
• c: 14.03 ± 0.0005 Å
• α: 77.509 ± 0.002°
• β: 84.338 ± 0.002°
• γ: 73.697 ± 0.002°
• Cell volume: 1655.86 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No