Information card for entry 1551545

Structure parameters

• Formula: C246 H126 Co6 N8 P6 Te8
• Calculated formula: C246 H126 Co6 N8 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: 26.5695 ± 0.001 Å
• b: 17.056 ± 0.0005 Å
• c: 21.1219 ± 0.0008 Å
• α: 90°
• β: 104.26 ± 0.004°
• γ: 90°
• Cell volume: 9276.9 ± 0.6 ų
• Cell temperature: 102 ± 4 K
• Ambient diffraction temperature: 102 ± 4 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.2802
• Weighted residual factors for all reflections included in the refinement: 0.2957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No