Information card for entry 7106437

Structure parameters

• Formula: C64 H8 Cl6 O3 P
• Calculated formula: C64 H8 Cl6 O3 P
• Title of publication: Manganese(III) acetate-mediated radical reaction of [60]fullerene with phosphonate esters affording unprecedented separable singly-bonded [60]fullerene dimers
• Authors of publication: Guan-Wu Wang; Cong-Zhou Wang; San-E Zhu; Jian-Ping Zou
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6111
• a: 9.9401 ± 0.001 Å
• b: 13.7583 ± 0.0015 Å
• c: 14.9042 ± 0.0016 Å
• α: 100.529 ± 0.002°
• β: 96.973 ± 0.002°
• γ: 102.216 ± 0.002°
• Cell volume: 1931.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0848
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No