Information card for entry 7033656

Structure parameters

• Formula: C37 H47 Fe N2 O P2 S
• Calculated formula: C37 H47 Fe N2 O P2 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: 11.82 ± 0.0006 Å
• b: 17.6223 ± 0.0008 Å
• c: 19.9604 ± 0.0012 Å
• α: 63.939 ± 0.008°
• β: 73.464 ± 0.01°
• γ: 69.638 ± 0.01°
• Cell volume: 3458.4 ± 0.4 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No