Information card for entry 7053164

Structure parameters

• Formula: C20 H24 Fe N O3
• Calculated formula: C20 H24 Fe N O3
• Title of publication: Structures and properties of ferrocene derivatives with different kinds of nitroxide radicals
• Authors of publication: Nakatsuji, Shin'ichi; Fujiwara, Kazuya; Akutsu, Hiroki; Yamada, Jun-ichi; Satoh, Masaharu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 8
• Pages of publication: 2468
• a: 21.162 ± 0.006 Å
• b: 8.427 ± 0.003 Å
• c: 10.717 ± 0.003 Å
• α: 90°
• β: 91.718 ± 0.007°
• γ: 90°
• Cell volume: 1910.3 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No