Information card for entry 4349341

Structure parameters

• Formula: C99.45 F48 N S0.91 Y
• Calculated formula: C99.422 F48 N S0.9083 Y
• Title of publication: Trifluoromethyl Derivatives of a Monometallic Cyanide Cluster Fullerene, YCN@C₈₂(6)(CF₃)_16/18.
• Authors of publication: Jin, Fei; Wang, Song; Yang, Shangfeng; Tamm, Nadezhda B.; Ioffe, Ilya N.; Troyanov, Sergey I.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 24
• Pages of publication: 12523 - 12526
• a: 38.968 ± 0.005 Å
• b: 14.133 ± 0.001 Å
• c: 25.105 ± 0.002 Å
• α: 90°
• β: 94.689 ± 0.009°
• γ: 90°
• Cell volume: 13780 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.895 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No