Information card for entry 1550539

Structure parameters

• Formula: C72 H6 Cl6
• Calculated formula: C72 H6 Cl6
• SMILES: Clc1c(Cl)cc(Cl)cc1.Clc1c(Cl)cc(Cl)cc1.c12c3c4c5c6c7c8c4c4c9c8c8c%10c%11c%12c%13c%14c%15c%16c%17c%18c(c%19c3c4c(c%19c%14%17)c%13c9%11)c1c1c3c(c4c6c6c7c8c7c8c9c%11c(c%12c%15c%11c%11c%16c(c%12c%11c9c(c68)c4c3%12)c%181)c%107)c25
• Title of publication: Two-dimensional C₆₀ nano-meshes via crystal transformation.
• Authors of publication: Lei, Yilong; Wang, Shaoyan; Lai, Zhuangchai; Yao, Xin; Zhao, Yanli; Zhang, Hua; Chen, Hongyu
• Journal of publication: Nanoscale
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 8692 - 8698
• a: 9.8783 ± 0.0011 Å
• b: 9.9409 ± 0.0011 Å
• c: 12.3344 ± 0.0014 Å
• α: 70.99 ± 0.02°
• β: 75.17 ± 0.02°
• γ: 63.05 ± 0.02°
• Cell volume: 1012.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No