Information card for entry 7046042

Structure parameters

• Chemical name: non-IPT trifluoromethyl[76]fullerene
• Formula: C90 F42
• Calculated formula: C90 F42
• Title of publication: Chlorination-promoted skeletal transformation of IPR C₇₆ discovered via trifluoromethylation under the formation of non-IPR C₇₆(CF₃)_nF_m.
• Authors of publication: Tamm, Nadezhda B.; Brotsman, Victor A.; Markov, Vitaliy Yu; Kemnitz, Erhard; Troyanov, Sergey I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 20
• Pages of publication: 6898 - 6902
• a: 22.473 ± 0.002 Å
• b: 9.962 ± 0.001 Å
• c: 28.182 ± 0.003 Å
• α: 90°
• β: 107.717 ± 0.01°
• γ: 90°
• Cell volume: 6010 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.3501
• Residual factor for significantly intense reflections: 0.1074
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.78
• Diffraction radiation wavelength: 0.895 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No