Information card for entry 7000965

Structure parameters

• Formula: C89.5 H4 F40
• Calculated formula: C89.5 F40
• 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: 10.3113 ± 0.0001 Å
• b: 14.0992 ± 0.0001 Å
• c: 21.9511 ± 0.0002 Å
• α: 86.4489 ± 0.0003°
• β: 83.9622 ± 0.0003°
• γ: 74.378 ± 0.0003°
• Cell volume: 3054.45 ± 0.05 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: 0.0528
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No