Information card for entry 7003915

Structure parameters

• Formula: C73 H8 F36
• Calculated formula: C73 H4 F36
• Title of publication: Synthesis, structure and theoretical study of mixed fluoro-trifluoromethyl derivatives of C60. Molecular structures of C60F18(CF3)6 and C60F16(CF3)6
• Authors of publication: Troyanov, Sergey I.; Goryunkov, Alexey A.; Tamm, Nadezhda B.; Markov, Vitaliy Yu.; Ioffe, Ilya N.; Sidorov, Lev N.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 19
• Pages of publication: 2627 - 2632
• a: 11.1945 ± 0.0001 Å
• b: 21.4447 ± 0.0002 Å
• c: 43.5511 ± 0.0005 Å
• α: 90°
• β: 91.2764 ± 0.0003°
• γ: 90°
• Cell volume: 10452.4 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0931
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No