Information card for entry 4107079

Structure parameters

• Formula: C48 H50 Cl2 N O Os P2 Si
• Calculated formula: C48 H43 Cl2 N 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: 10.1908 ± 0.001 Å
• b: 17.7202 ± 0.0018 Å
• c: 24.634 ± 0.003 Å
• α: 90°
• β: 95.552 ± 0.001°
• γ: 90°
• Cell volume: 4427.6 ± 0.8 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 8
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No