Information card for entry 7222965

Structure parameters

• Formula: C10 H6 Fe N7 O2
• Calculated formula: C10 H6 Fe N7 O2
• 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: 9.5236 ± 0.0019 Å
• b: 12.24 ± 0.002 Å
• c: 9.907 ± 0.002 Å
• α: 90°
• β: 101.88 ± 0.03°
• γ: 90°
• Cell volume: 1130.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No