Information card for entry 1551543

Structure parameters

• Formula: C276 H174 Co6 P6 Te8
• Calculated formula: C276.12 H174 Co6 P6 Te8
• Title of publication: Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal
• Authors of publication: Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy
• Journal of publication: Nature Chemistry
• Year of publication: 2017
• Journal volume: 9
• Pages of publication: 1170 - 1174
• a: 29.47019 ± 0.00018 Å
• b: 17.3534 ± 0.00007 Å
• c: 38.00346 ± 0.00016 Å
• α: 90°
• β: 103.98 ± 0.0007°
• γ: 90°
• Cell volume: 18859.6 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No