Information card for entry 4115554

Structure parameters

• Formula: C45 H12 F20 N4 O3 Os
• Calculated formula: C46 H8 F20 N4 O4 Os
• SMILES: OC.[Os]123(n4c5=C(c6ccc(=C(c7ccc(C(=c8ccc(C(=c4cc5)c4c(F)c(F)c(F)c(F)c4F)[n]28)c2c(F)c(F)c(F)c(F)c2F)n17)c1c(F)c(F)c(F)c(F)c1F)[n]36)c1c(F)c(F)c(F)c(F)c1F)(=O)=O.OC
• Title of publication: Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes
• Authors of publication: Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 4843 - 4844
• a: 14.507 ± 0.003 Å
• b: 13.088 ± 0.002 Å
• c: 12.321 ± 0.003 Å
• α: 90°
• β: 114.013 ± 0.005°
• γ: 90°
• Cell volume: 2136.9 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.748
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No