Information card for entry 1550794

Structure parameters

• Formula: C140 H56 N4 Ni Y2
• Calculated formula: C140 H56 N4 Ni Y1.9998
• Title of publication: Crystallographic Characterization of Y2C2n (2n = 82, 88-94): Direct Y-Y Bonding and Cage-Dependent Cluster Evolution
• Authors of publication: Pan, Changwang; Shen, Wangqiang; Yang, Le; Bao, Lipiao; Wei, Zhan; Jin, Peng; Fang, Hongyun; Xie, Yun-Peng; Akasaka, Takeshi; Lu, Xing
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 23.544 ± 0.003 Å
• b: 14.4883 ± 0.0018 Å
• c: 18.621 ± 0.003 Å
• α: 90°
• β: 93.714 ± 0.003°
• γ: 90°
• Cell volume: 6338.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1371
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.254
• Weighted residual factors for all reflections included in the refinement: 0.2877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.6525 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No