Information card for entry 4111013

Structure parameters

• Formula: C42 H48 Cl2 F3 N2 O3 Os P S Si2
• Calculated formula: C42 H48 Cl2 F3 N2 O3 Os P S Si2
• SMILES: [Os]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([n]6c(cccc6)c6[n]1cccc6)[cH]1[c]2([c]3([c]4([cH]51)[Si](C)(C)C)C)[Si](C)(C)C.C(S(=O)(=O)[O-])(F)(F)F.C(Cl)Cl
• Title of publication: Osmabenzenes from the Reactions of a Dicationic Osmabenzyne Complex
• Authors of publication: Wai Yiu Hung; Jun Zhu; Ting Bin Wen; Ka Po Yu; Herman H. Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 13742 - 13752
• a: 10.7215 ± 0.0011 Å
• b: 11.4672 ± 0.0011 Å
• c: 20.273 ± 0.002 Å
• α: 104.072 ± 0.002°
• β: 101.455 ± 0.002°
• γ: 95.036 ± 0.002°
• Cell volume: 2345.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No