Information card for entry 4107082

Structure parameters

• Formula: C42.75 H36.5 Cl3.5 N O3 Os P2
• Calculated formula: C42.75 H35 Cl3.5 N O3 Os P2
• 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: 26.725 ± 0.004 Å
• b: 10.8721 ± 0.0018 Å
• c: 26.968 ± 0.005 Å
• α: 90°
• β: 91.165 ± 0.002°
• γ: 90°
• Cell volume: 7834 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No