Information card for entry 7058086

Structure parameters

• Common name: no
• Chemical name: salt of negatively charged dimer of C70(CF3)10 with potassium cryptand[2.2.2], hexane/o-dichlorobenzene solvate
• Formula: C103.46 H46.77 Cl0.4 F30 K N2 O6
• Calculated formula: C103.46 H46.77 Cl0.394 F30 K N2 O6
• Title of publication: Negatively charged singly-bonded dimers of C1-[C70(CF3)10] and bare C70 fullerene
• Authors of publication: Konarev, Dmitri V.; Khasanov, Salavat S.; Goryunkov, Alexey A.; Troyanov, Sergey I.; Brotsman, Victor A.; Ioffe, Ilya N.; Lyubovskaya, Rimma N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2726
• a: 19.095 ± 0.0007 Å
• b: 21.5607 ± 0.0009 Å
• c: 19.4136 ± 0.0006 Å
• α: 90°
• β: 92.127 ± 0.003°
• γ: 90°
• Cell volume: 7987.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.19
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No