Information card for entry 7044707

Structure parameters

• Formula: C42 H43 Fe4 N3 O22.5
• Calculated formula: C42 H42 Fe4 N3 O22.5
• Title of publication: Synthesis, structures and magnetic properties of two chiral mixed-valence iron(II, III) coordination networks
• Authors of publication: Xue, Yuanshan; Tan, Xu; Zhou, Mengjie; Mei, Hua; Xu, Yan
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 16.343 ± 0.02 Å
• b: 16.343 ± 0.02 Å
• c: 18.41 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4258 ± 10 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No