Information card for entry 4135461

Structure parameters

• Formula: C20 H12 N2 O9.33 Rb2
• Calculated formula: C20 H12 N2 O9.33333 Rb2
• Title of publication: Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives
• Authors of publication: Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 7.5163 ± 0.0004 Å
• b: 12.556 ± 0.0007 Å
• c: 16.8507 ± 0.0009 Å
• α: 83.769 ± 0.006°
• β: 81.148 ± 0.006°
• γ: 80.127 ± 0.006°
• Cell volume: 1542.54 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No