Information card for entry 4126151

Structure parameters

• Formula: C84 Cl32.12 O1.07 V0.71
• Calculated formula: C84 Cl32.1257 O1.0665 V0.7112
• Title of publication: Skeletal Transformation of a Classical Fullerene C88 into a Nonclassical Fullerene Chloride C84Cl30 Bearing Quaternary Sequentially Fused Pentagons.
• Authors of publication: Jin, Fei; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 13
• Pages of publication: 4651 - 4654
• a: 17.2709 ± 0.0008 Å
• b: 19.3481 ± 0.0006 Å
• c: 22.494 ± 0.001 Å
• α: 85.767 ± 0.005°
• β: 80.923 ± 0.007°
• γ: 84.766 ± 0.009°
• Cell volume: 7378 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.895 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No