Information card for entry 4107081

Structure parameters

• Formula: C48 H50 Cl3 O Os P2 Si
• Calculated formula: C48 H50 Cl3 O Os P2 Si
• Title of publication: Electrophilic Substitution Reactions of Metallabenzynes
• Authors of publication: Wai Yiu Hung; Bin Liu; Wangge Shou; Ting Bin Wen; Chuan Shi; Herman H.-Y. Sung; Ian D. Williams; Zhenyang Lin; Guochen Jia
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 18350 - 18360
• a: 10.0996 ± 0.0007 Å
• b: 18.2847 ± 0.0012 Å
• c: 23.7928 ± 0.0016 Å
• α: 90°
• β: 94.946 ± 0.001°
• γ: 90°
• Cell volume: 4377.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0744
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No