Information card for entry 4115553

Structure parameters

• Formula: C59 H24 Cl2 F20 N6 O4 Os S2
• Calculated formula: C59 H22 Cl2 F20 N6 O4 Os S2
• 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: 12.792 ± 0.004 Å
• b: 18.517 ± 0.006 Å
• c: 27.674 ± 0.008 Å
• α: 90°
• β: 100.532 ± 0.006°
• γ: 90°
• Cell volume: 6445 ± 3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 8
• 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: 0.1177
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No