Information card for entry 4133410

Structure parameters

• Formula: C352 H180 Co12 P12 Te16
• Calculated formula: C349.76 H180 Co12 P12 Te15
• Title of publication: Spontaneous Electronic Band Formation and Switchable Behaviors in a Phase-Rich Superatomic Crystal.
• Authors of publication: O'Brien, Evan S; Russell, Jake C.; Bartnof, Matthew; Christodoulides, Alexander D.; Lee, Kihong; DeGayner, Jordan A.; Paley, Daniel W.; McGaughey, Alan J. H.; Ong, Wee-Liat; Malen, Jonathan A.; Zhu, X.-Y.; Roy, Xavier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 46
• Pages of publication: 15601 - 15605
• a: 25.7743 ± 0.0009 Å
• b: 16.3541 ± 0.0005 Å
• c: 28.9052 ± 0.001 Å
• α: 90°
• β: 92.161 ± 0.004°
• γ: 90°
• Cell volume: 12175.3 ± 0.7 ų
• Cell temperature: 250.2 ± 0.3 K
• Ambient diffraction temperature: 250.2 ± 0.3 K
• Number of distinct elements: 5
• 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: 0.0864
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No