Information card for entry 1552438

Structure parameters

• Formula: Al3 Ca0.315 Pd2 Yb0.685
• Calculated formula: Al3 Ca0.315 Pd2 Yb0.685
• Title of publication: Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey
• Authors of publication: Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 9.3122 ± 0.0012 Å
• b: 9.3122 ± 0.0012 Å
• c: 4.209 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 316.09 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.0129
• Residual factor for significantly intense reflections: 0.0101
• Weighted residual factors for significantly intense reflections: 0.0221
• Weighted residual factors for all reflections included in the refinement: 0.0232
• Goodness-of-fit parameter for significantly intense reflections: 0.89
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No