Information card for entry 7046043

Structure parameters

• Chemical name: trifluoromethyl/fluoro [76]fullerene
• Formula: C99.8 H11.2 F44
• Calculated formula: C99.8 H11.2 F44
• 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: 12.586 ± 0.001 Å
• b: 15.281 ± 0.001 Å
• c: 21.008 ± 0.002 Å
• α: 103.46 ± 0.006°
• β: 99.61 ± 0.008°
• γ: 107.79 ± 0.01°
• Cell volume: 3615.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3077
• Residual factor for significantly intense reflections: 0.134
• Weighted residual factors for significantly intense reflections: 0.2693
• Weighted residual factors for all reflections included in the refinement: 0.2955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.389
• Diffraction radiation wavelength: 0.895 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No