Information card for entry 7222966

Structure parameters

• Formula: C9 H12 Fe N7 O3
• Calculated formula: C9 H12 Fe N7 O3
• Title of publication: Construction of Fe6, Fe8 and Mn8 Metallamacrocyclic Complexes and Magnetic Properties
• Authors of publication: xu, zhouqing; Li, Huijun; Wang, Yuan; Cai, Hongxin; Jia, Lei; Hou, Hongwei
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 19.623 ± 0.003 Å
• b: 19.623 ± 0.003 Å
• c: 19.147 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7373 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No