Information card for entry 4516818

Structure parameters

• Formula: C91 H44 N4 Ni S0 Y
• Calculated formula: C91 H44 N4 Ni Y1.0001
• Title of publication: Facile Access to Y₂C_2n (2n = 92-130) and Crystallographic Characterization of Y₂C₂@C₁(1660)-C₁₀₈: A Giant Nanocapsule with a Linear Carbide Cluster.
• Authors of publication: Pan, Changwang; Bao, Lipiao; Yu, Xianyong; Fang, Hongyun; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing
• Journal of publication: ACS nano
• Year of publication: 2018
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 2065 - 2069
• a: 17.99 ± 0.006 Å
• b: 18.597 ± 0.006 Å
• c: 18.679 ± 0.006 Å
• α: 90°
• β: 89.996 ± 0.002°
• γ: 90°
• Cell volume: 6249 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2152
• Weighted residual factors for all reflections included in the refinement: 0.2246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.6525 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No