Information card for entry 4108900

Structure parameters

• Formula: C212.5 H89.75 Cl3.75
• Calculated formula: C212.5 H89.75 Cl3.75
• Title of publication: Self-Assembling Fullerenes for Improved Bulk-Heterojunction Photovoltaic Devices
• Authors of publication: Robert D. Kennedy; Alexander L. Ayzner; Darcy D. Wanger; Christopher T Day; Merissa Halim; Saeed I. Khan; Sarah H. Tolbert; Benjamin J. Schwartz; Yves Rubin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17290 - 17292
• a: 14.1988 ± 0.0013 Å
• b: 18.8417 ± 0.0018 Å
• c: 47.797 ± 0.005 Å
• α: 90°
• β: 93.598 ± 0.001°
• γ: 90°
• Cell volume: 12762 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.1088
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1916
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No