Information card for entry 4314753

Structure parameters

• Formula: C64 H92 B2 Co0.8 F8 Fe0.2 N6 O3
• Calculated formula: C64 H92 B2 Co F8 N6 O3
• Title of publication: Stabilization of Long-Lived Metastable State in Long Alkylated Spin-Crossover Cobalt(II) Compound
• Authors of publication: Shinya Hayami; Daisuke Urakami; Yoshihiro Kojima; Hokuto Yoshizaki; Yuuki Yamamoto; Kazuya Kato; Akira Fuyuhiro; Satoshi Kawata; Katsuya Inoue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1428 - 1432
• a: 8.781 ± 0.006 Å
• b: 19.894 ± 0.014 Å
• c: 19.963 ± 0.014 Å
• α: 112.048 ± 0.013°
• β: 98.065 ± 0.014°
• γ: 93.067 ± 0.013°
• Cell volume: 3179 ± 4 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1908
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.2384
• Weighted residual factors for all reflections included in the refinement: 0.283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No