Information card for entry 1514866

Structure parameters

• Formula: C119.81 H53.81 Cl1.25 N4 Ni Sc2
• Calculated formula: C120.674 H54.262 Cl1.881 N4 Ni Sc1.997
• Title of publication: Structural and electronic studies of metal carbide clusterfullerene Sc2C2@Cs-C72.
• Authors of publication: Feng, Yongqiang; Wang, Taishan; Wu, Jingyi; Feng, Lai; Xiang, Junfeng; Ma, Yihan; Zhang, Zhuxia; Jiang, Li; Shu, Chunying; Wang, Chunru
• Journal of publication: Nanoscale
• Year of publication: 2013
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 6704 - 6707
• a: 25.054 Å
• b: 15.018 Å
• c: 19.103 Å
• α: 90°
• β: 94.07°
• γ: 90°
• Cell volume: 7169.59 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.119
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2766
• Weighted residual factors for all reflections included in the refinement: 0.2906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No