Information card for entry 4133571

Structure parameters

• Chemical name: K2Rubrene
• Formula: C42 H28 K2
• Calculated formula: C42 H28 K2
• Title of publication: Reactivity of Solid Rubrene with Potassium: Competition between Intercalation and Molecular Decomposition.
• Authors of publication: Zhang, Jiliang; Whitehead, George F. S.; Manning, Troy D.; Stewart, David; Hiley, Craig I.; Pitcher, Michael J.; Jansat, Susanna; Prassides, Kosmas; Rosseinsky, Matthew J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 51
• Pages of publication: 18162 - 18172
• a: 12.85953 ± 0.00027 Å
• b: 8.3632 ± 0.00015 Å
• c: 14.53708 ± 0.00024 Å
• α: 90°
• β: 71.2596 ± 0.0088°
• γ: 90°
• Cell volume: 1480.53 ± 0.09 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 4.84
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.825865 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No