Information card for entry 4111009

Structure parameters

• Formula: C60 H60 F6 N2 O6 Os P2 S2 Si2
• Calculated formula: C60 H60 F6 N2 O6 Os P2 S2 Si2
• SMILES: [Os]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(#CC(=C(C(=C1)[Si](C)(C)C)C)[Si](C)(C)C)[n]1c(cccc1)c1[n]2cccc1.C(F)(F)(F)S(=O)(=O)[O-].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: 21.5222 ± 0.0011 Å
• b: 22.0572 ± 0.0011 Å
• c: 12.4107 ± 0.0006 Å
• α: 90°
• β: 98.151 ± 0.001°
• γ: 90°
• Cell volume: 5832.1 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No