Information card for entry 4124257

Structure parameters

• Formula: C105 H0 La2 N0 Ni0 S6
• Calculated formula: C105 La2 S6
• Title of publication: Anomalous Compression of D5(450)-C100 by Encapsulating La2C2 Cluster instead of La2.
• Authors of publication: Cai, Wenting; Bao, Lipiao; Zhao, Shasha; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 32
• Pages of publication: 10292 - 10296
• a: 12.331 ± 0.0019 Å
• b: 23.721 ± 0.004 Å
• c: 18.341 ± 0.003 Å
• α: 90°
• β: 94.46 ± 0.002°
• γ: 90°
• Cell volume: 5348.6 ± 1.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.1717
• Residual factor for significantly intense reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.3973
• Weighted residual factors for all reflections included in the refinement: 0.4384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.653
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No