Information card for entry 4111478

Structure parameters

• Formula: C60 H56 Cl6 Os P2
• Calculated formula: C60 H56 Cl6 Os P2
• Title of publication: Syntheses of Metallabenzynes from an Allenylcarbene Complex
• Authors of publication: Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 2856 - 2857
• a: 12.6117 ± 0.0007 Å
• b: 13.9967 ± 0.0008 Å
• c: 16.439 ± 0.0009 Å
• α: 76.998 ± 0.001°
• β: 73.868 ± 0.001°
• γ: 78.661 ± 0.001°
• Cell volume: 2688.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No