Information card for entry 7006006

Structure parameters

• Formula: C71 H12 F4
• Calculated formula: C71 H12 F4
• SMILES: FC1(F)C23C4C56c7c2c2c8c9C13c1c3C=4c4c%10C5(c5c%11c7c7c2c2c8c8c%12c9c1c1c9c3c4c3c4c%10c5c5c%10c%11c7c7c2c2c8c8c%12c1c1c9c3c3c4c5c4c%10c7c2c2c8c1c3c42)C6(F)F.c1(cc(cc(c1)C)C)C
• Title of publication: Preparation and structures of [6,6]-open difluoromethylene[60]fullerenes: C60(CF2) and C60(CF2)2
• Authors of publication: Pimenova, Anna S.; Kozlov, Andrey A.; Goryunkov, Alexey A.; Markov, Vitaliy Yu.; Khavrel, Pavel A.; Avdoshenko, Stanislav M.; Vorobiev, Vsevolod A.; Ioffe, Ilya N.; Sakharov, Sergey G.; Troyanov, Sergey I.; Sidorov, Lev N.
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 45
• Pages of publication: 5322
• a: 10.0881 ± 0.0003 Å
• b: 10.1529 ± 0.0002 Å
• c: 18.7271 ± 0.0004 Å
• α: 105.145 ± 0.001°
• β: 99.051 ± 0.001°
• γ: 93.512 ± 0.001°
• Cell volume: 1817.85 ± 0.08 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: 0.085
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No