Information card for entry 4111011

Structure parameters

• Formula: C57 H55 F3 N2 O4 Os P2 S Si
• Calculated formula: C57 H55 F3 N2 O4 Os P2 S Si
• SMILES: [Os]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3c(cccc3)c3[n]1cccc3)=C(C=C(C(=C2)[Si](C)(C)C)C)OC.C(F)(F)(F)S(=O)(=O)[O-]
• 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: 13.7519 ± 0.0007 Å
• b: 19.6084 ± 0.0011 Å
• c: 19.1742 ± 0.0011 Å
• α: 90°
• β: 97.364 ± 0.001°
• γ: 90°
• Cell volume: 5127.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0695
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No