Information card for entry 7033651

Structure parameters

• Formula: C26.5 H25.5 Fe2 N2 O6.5 S
• Calculated formula: C26.5 H25.5 Fe2 N2 O6.5 S
• Title of publication: Formation, reactivity and redox properties of carbon- and sulfur-bridged diiron complexes derived from dibenzothienyl Schiff bases: effect of N,N- and N,P-chelating moieties.
• Authors of publication: Santo, Kiyokazu; Hirotsu, Masakazu; Kinoshita, Isamu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 4155 - 4166
• a: 9.309 ± 0.0018 Å
• b: 13.941 ± 0.003 Å
• c: 20.73 ± 0.004 Å
• α: 90°
• β: 98.909 ± 0.002°
• γ: 90°
• Cell volume: 2657.8 ± 0.9 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 K
• Number of distinct elements: 6
• 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: 0.0495
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No