Information card for entry 7102000

Structure parameters

• Formula: C120 Cl10
• Calculated formula: C120 Cl10
• SMILES: ClC12C3=C4C5=C1C1(Cl)c6c7C2(Cl)c2c8C3(Cl)c3c9C4(Cl)c4c%10C5(c5c1c1c6c6c%11c7c2c2c7c8c3c3c8c9c4c4c9c%10c5c5c1c1c6c6c%11c2c2c7c3c3c8c4c4c9c5c1c1c6c2c3c41)C12C3C4=C5C6(Cl)C=3C3(Cl)c7c8C6(Cl)c6c9C5(Cl)c5c%10C4(Cl)c4c1c1c%11c%12c4c%10c4c%10c5c9c5c9c6c8c6c8c7c7c3c2c1c1c7c2c8c3c6c9c6c5c%10c5c4c%12c4c%11c1c2c1c3c6c5c41
• Title of publication: Singly-bonded fullerene dimers: neutral (C(60)Cl(5))(2) and cationic (C(70))(2)(2+).
• Authors of publication: Troyanov, Sergey I; Kemnitz, Erhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 26
• Pages of publication: 2707 - 2709
• a: 19.579 ± 0.002 Å
• b: 11.268 ± 0.0008 Å
• c: 29.077 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6414.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1722
• Residual factor for significantly intense reflections: 0.1129
• Weighted residual factors for significantly intense reflections: 0.2336
• Weighted residual factors for all reflections included in the refinement: 0.2594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.91 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No