Information card for entry 4324663

Structure parameters

• Formula: C47 H92 Fe3 N14 Si4
• Calculated formula: C47 H92 Fe3 N14 Si4
• Title of publication: Iron(II) Cage Complexes of N-Heterocyclic Amide and Bis(trimethylsilyl)amide Ligands: Synthesis, Structure, and Magnetic Properties
• Authors of publication: Scott A. Sulway; David Collison; Joseph J. W. McDouall; Floriana Tuna; Richard A. Layfield
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2521 - 2526
• a: 22.522 ± 0.004 Å
• b: 14.455 ± 0.003 Å
• c: 17.979 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5853.2 ± 1.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No