Information card for entry 4127138

Structure parameters

• Formula: C107 H8 F48 Y2
• Calculated formula: C107 F48 Y2
• Title of publication: Steering the Geometry of Butterfly-Shaped Dimetal Carbide Cluster within a Carbon Cage via Trifluoromethylation of Y2C2@C82(6).
• Authors of publication: Jin, Fei; Tamm, Nadezhda B.; Troyanov, Sergey I.; Yang, Shangfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 12.738 ± 0.001 Å
• b: 16.51 ± 0.001 Å
• c: 20.667 ± 0.002 Å
• α: 74.73 ± 0.01°
• β: 82.24 ± 0.01°
• γ: 75.14 ± 0.01°
• Cell volume: 4042.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2298
• Residual factor for significantly intense reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.27
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.895 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No