Information card for entry 1550795

Structure parameters

• Formula: C128.52 H54.22 N4 Ni S0.59 Y2
• Calculated formula: C128.53 H54.236 N4 Ni S0.588 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: 25.3744 ± 0.0009 Å
• b: 15.1207 ± 0.0006 Å
• c: 19.8806 ± 0.0008 Å
• α: 90°
• β: 94.306 ± 0.001°
• γ: 90°
• Cell volume: 7606.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1235
• Residual factor for significantly intense reflections: 0.1156
• Weighted residual factors for significantly intense reflections: 0.2949
• Weighted residual factors for all reflections included in the refinement: 0.2991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.82653 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No