Information card for entry 7225820

Structure parameters

• Formula: C62 H88 Cl4 Fe4 N16 O24
• Calculated formula: C62 H88 Cl4 Fe4 N16 O24
• Title of publication: Tetra-Fe(iii) and deca-Mn(iii) metallacrowns built from bis-salicylhydrazide ligands: synthesis, structures and magnetic properties
• Authors of publication: Pan, Jia-li; Guo, Qian; Yang, Bing; Li, Yu-yi; Cao, Jin-ge; Meng, Xiang-gao; Xiao, Feng-ping
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 33
• Pages of publication: 6143
• a: 26.284 ± 0.003 Å
• b: 26.284 ± 0.003 Å
• c: 12.9228 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8927.7 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No