Information card for entry 7213016

Structure parameters

• Formula: C21 H18 F4 N5 O
• Calculated formula: C21 H18 F4 N5 O
• Title of publication: CT complexes based on TEMPO radicals
• Authors of publication: Nakatsuji, Shin'ichi; Takai, Atsushi; Nishikawa, Kazuyoshi; Morimoto, Yukio; Yasuoka, Noritake; Suzuki, Kazuya; Enoki, Toshiaki; Anzai, Hiroyuki
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 1747
• a: 6.985 ± 0.002 Å
• b: 14.407 ± 0.004 Å
• c: 20.427 ± 0.003 Å
• α: 90°
• β: 93.7 ± 0.02°
• γ: 90°
• Cell volume: 2051.3 ± 0.9 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 3.05
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No