Information card for entry 7234364

Structure parameters

• Formula: C188 H180 B8 F32 Fe4 N52
• Calculated formula: C170.5 H153.75 B7.5 F30 Fe4 N43.25
• Title of publication: A large spin-crossover [Fe4L4]8+ tetrahedral cage
• Authors of publication: Li Li; Naoto Saigo; Yingjie Zhang; Daniel J. Fanna; Nicholas D. Shepherd; Jack K. Clegg; Rongkun Zheng; Shinya Hayami; Leonard F. Lindoy; Janice R. Aldrich-Wright; Chun-Guang Li; Jason K. Reynolds; David G. Harman; Feng Li
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 7878 - 7882
• a: 31.59 ± 0.005 Å
• b: 31.59 ± 0.005 Å
• c: 18.32 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15833 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2485
• Weighted residual factors for all reflections included in the refinement: 0.258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: silicondoublecrystalmonocromatedsynchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No