Information card for entry 4107078

Structure parameters

• Formula: C45 H44 Cl2 N O2 Os P2 Si
• Calculated formula: C45 H44 Cl2 N O2 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: 12.058 ± 0.001 Å
• b: 12.4671 ± 0.001 Å
• c: 14.8212 ± 0.0012 Å
• α: 83.779 ± 0.002°
• β: 72.02 ± 0.002°
• γ: 75.575 ± 0.002°
• Cell volume: 2051.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No