Information card for entry 4111475

Structure parameters

• Formula: C59 H50 Cl2 Os P2
• Calculated formula: C59 H50 Cl2 Os P2
• SMILES: [Os]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(Cl)(Cl)[CH](=Cc3ccccc3)[CH]1=[CH]2c1ccccc1.c1(ccccc1)C
• 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: 11.154 ± 0.001 Å
• b: 24.671 ± 0.003 Å
• c: 35.434 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9751 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.143
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No