Information card for entry 4113408

Structure parameters

• Formula: C43.5 H39 Cl5 Os P2
• Calculated formula: C43.5 H39 Cl5 Os P2
• Title of publication: Protonation and Bromination of an Osmabenzyne: Reactions Leading to the Formation of New Metallabenzynes
• Authors of publication: Ting Bin Wen; Sze Ming Ng; Wai Yiu Hung; Zhong Yuan Zhou; Man Fung Lo; Lai-Yung Shek; Ian D. Williams; Zhenyang Lin; Guochen Jia
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 884 - 885
• a: 10.0243 ± 0.0009 Å
• b: 22.59 ± 0.002 Å
• c: 17.5821 ± 0.0016 Å
• α: 90°
• β: 94.246 ± 0.002°
• γ: 90°
• Cell volume: 3970.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0926
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No