Information card for entry 4104962

Structure parameters

• Chemical name: Ar5C60CoS2C2S2C2S2C2S2CoC60Ar5_CS2_C6H6
• Formula: C240 H142 Co2 S12
• Calculated formula: C240 H142 Co2 S12
• Title of publication: π-Conjugated Multidonor/Acceptor Arrays of Fullerene-Cobaltadithiolene-Tetrathiafulvalene: From Synthesis and Structure to Electronic Interactions
• Authors of publication: Yutaka Matsuo; Masashi Maruyama; S. Shankara Gayathri; Tomoya Uchida; Dirk M. Guldi; Hideo Kishida; Arao Nakamura; Eiichi Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12643 - 12649
• a: 40.931 ± 0.003 Å
• b: 18.8015 ± 0.0014 Å
• c: 23.723 ± 0.0016 Å
• α: 90°
• β: 108.671 ± 0.002°
• γ: 90°
• Cell volume: 17296 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2557
• Residual factor for significantly intense reflections: 0.1699
• Weighted residual factors for significantly intense reflections: 0.4263
• Weighted residual factors for all reflections included in the refinement: 0.4839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.485
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No