Information card for entry 4115552

Structure parameters

• Formula: C71 H34 Cl2 F20 N4 O2 Os
• Calculated formula: C71 H28 Cl2 F20 N4 O2 Os
• 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: 16.7755 ± 0.0015 Å
• b: 15.3103 ± 0.0013 Å
• c: 25.012 ± 0.002 Å
• α: 90°
• β: 95.515 ± 0.002°
• γ: 90°
• Cell volume: 6394.3 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No