Information card for entry 7700839

Structure parameters

• Formula: C26 H16 Fe2 O8 S2
• Calculated formula: C26 H16 Fe2 O8 S2
• Title of publication: Proton-coupled electron transfer in the reduction of diiron hexacarbonyl complexes and its enhancement on the electrocatalytic reduction of protons by a pendant basic group.
• Authors of publication: Zhong, Wei; Wu, Li; Jiang, Weidong; Li, Yulong; Mookan, Natarajan; Liu, Xiaoming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 36
• Pages of publication: 13711 - 13718
• a: 12.3381 ± 0.0006 Å
• b: 19.4322 ± 0.001 Å
• c: 10.9337 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2621.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No