Information card for entry 7000972

Structure parameters

• Formula: C86 F40
• Calculated formula: C86 F40
• SMILES: FC(F)(C12c3c4c5c6c7c3c3c8C9C7(c7c6c6c%10c5c5c%11c4c1c1C4(C%12=C2c3c2c3c8c8C=9C9(c7c7c6c6c%10c%10c5c5c%11c1C1=C4C4(c(c%122)c2c3c3c8C8(C9=C7C7(c6c6c%10c9c5C1(c1c4c2c2c(c91)c6c7c8c32)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis and molecular structure of pentafluoroethyl derivatives of C70: C70(C2F5)8 and C70(C2F5)10
• Authors of publication: Tamm, Nadezhda B.; Ioffe, Ilya N.; Kemnitz, Erhard; Troyanov, Sergey I.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2740 - 2745
• a: 9.9629 ± 0.0001 Å
• b: 14.8044 ± 0.0001 Å
• c: 21.7315 ± 0.0002 Å
• α: 109.818 ± 0.0003°
• β: 93.5762 ± 0.0004°
• γ: 103.488 ± 0.0005°
• Cell volume: 2897 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No