Information card for entry 4108693

Structure parameters

• Formula: C56 Cl10
• Calculated formula: C56 Cl10
• SMILES: ClC12c3c4c5C1(Cl)c1c6c7c8c9c%10c7c7c1C1(Cl)C%11(Cl)c%12c(c51)c1c4c4c5c3C3(Cl)c(c8c8c%13c%14c%15c%16C(Cl)(C5(Cl)c%15c38)c4c3c1c1c%12C4(Cl)c(c%10c5c(c9%13)c%14c8c%16C3(Cl)C1(Cl)c8c45)c7%11)c26
• Title of publication: An Entrant of Smaller Fullerene: C56 Captured by Chlorines and Aligned in Linear Chains
• Authors of publication: Yuan-Zhi Tan; Xiao Han; Xin Wu; Ye-Yong Meng; Feng Zhu; Zhuo-Zhen Qian; Zhao-Jiang Liao; Ming-Hui Chen; Xin Lu; Su-Yuan Xie; Rong-Bin Huang; Lan-Sun Zheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15240 - 15241
• a: 18.7599 ± 0.0013 Å
• b: 13.4186 ± 0.0009 Å
• c: 13.8694 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3491.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 2
• 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: 0.0742
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No