Information card for entry 7000962

Structure parameters

• Formula: C93 H8 F40
• Calculated formula: C92.988 H8 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: 13.7609 ± 0.0001 Å
• b: 14.7676 ± 0.0002 Å
• c: 18.0931 ± 0.0002 Å
• α: 71.0469 ± 0.0004°
• β: 71.9177 ± 0.0005°
• γ: 70.6524 ± 0.0007°
• Cell volume: 3195.24 ± 0.06 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: 0.0635
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No