Information card for entry 1549566

Structure parameters

• Formula: C53 H48 Cl4 Os P2 Si
• Calculated formula: C53 H48 Cl4 Os P2 Si
• Title of publication: Facile synthesis of polycyclic metallaarynes.
• Authors of publication: Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 27
• Pages of publication: 5994 - 5998
• a: 13.9889 ± 0.0002 Å
• b: 16.453 ± 0.0002 Å
• c: 21.3301 ± 0.0003 Å
• α: 90°
• β: 97.273 ± 0.001°
• γ: 90°
• Cell volume: 4869.82 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No