Information card for entry 4318266

Structure parameters

• Common name: [(L8py2)FeCl2] (1)
• Formula: C18 H24 Cl2 Fe N4
• Calculated formula: C18 H24 Cl2 Fe N4
• Title of publication: Synthetic Models of the Reduced Active Site of Superoxide Reductase
• Authors of publication: Jason A. Halfen; Heather L. Moore; Derek C. Fox
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3935 - 3943
• a: 22.786 ± 0.006 Å
• b: 7.8401 ± 0.0005 Å
• c: 13.805 ± 0.004 Å
• α: 90°
• β: 126.94 ± 0.02°
• γ: 90°
• Cell volume: 1971.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No