Information card for entry 4104961

Structure parameters

• Chemical name: CoC60C6H4tBu5COCO
• Formula: C127 H77 Cl2.5 Co O2
• Calculated formula: C127 H77 Cl2.5 Co O2
• 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: 15.2527 ± 0.0004 Å
• b: 17.7608 ± 0.0006 Å
• c: 17.9335 ± 0.0007 Å
• α: 70.384 ± 0.001°
• β: 68.897 ± 0.001°
• γ: 81.386 ± 0.001°
• Cell volume: 4267 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No