Information card for entry 4344598

Structure parameters

• Formula: C56 Cl10 O
• Calculated formula: C56 Cl10 O
• Title of publication: Regioselective Oxidation of Fused-Pentagon Chlorofullerenes.
• Authors of publication: Zhang, Zhen-Qiang; Chen, Shu-Fen; Gao, Cong-Li; Zhou, Ting; Shan, Gui-Juan; Tan, Yuan-Zhi; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 543 - 545
• a: 18.6824 ± 0.0015 Å
• b: 13.3999 ± 0.0012 Å
• c: 13.9329 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3488 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 3
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No