Information card for entry 4349342

Structure parameters

• Formula: C103.1 H1.4 Cl0.7 F54 N Y
• Calculated formula: C101 Cl0.7 F54 N 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: 24.052 ± 0.002 Å
• b: 33.256 ± 0.003 Å
• c: 23.779 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19020 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1836
• Residual factor for significantly intense reflections: 0.1191
• Weighted residual factors for significantly intense reflections: 0.2756
• Weighted residual factors for all reflections included in the refinement: 0.2898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.532
• Diffraction radiation wavelength: 0.895 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No