Information card for entry 1548272

Structure parameters

• Formula: C450 H548 B24 F18 Fe42 N240 O88 S6
• Calculated formula: C450 H408 B24 F18 Fe42 N240 O88.024 S6
• Title of publication: A ferromagnetically coupled Fe42 cyanide-bridged nanocage
• Authors of publication: Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 5955
• a: 30.7679 ± 0.0013 Å
• b: 30.7679 ± 0.0013 Å
• c: 30.7679 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29127 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :2
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.6186 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No