Information card for entry 4131165

Structure parameters

• Formula: C89 H33.25 Ag2 Cl4 F3 N2 O9
• Calculated formula: C89 H33.25 Ag2 Cl4 F3 N2 O9
• Title of publication: Silver(I)-Mediated Modification, Dimerization, and Polymerization of an Open-Cage Fullerene.
• Authors of publication: Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 50
• Pages of publication: 16459 - 16465
• a: 24.5549 ± 0.0012 Å
• b: 13.8358 ± 0.0007 Å
• c: 20.011 ± 0.0009 Å
• α: 90°
• β: 109.893 ± 0.002°
• γ: 90°
• Cell volume: 6392.8 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2541
• Weighted residual factors for all reflections included in the refinement: 0.2587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No