Information card for entry 7048264

Structure parameters

• Formula: C26 H22 N4 O2 S2
• Calculated formula: C26 H22 N4 O2 S2
• Title of publication: Dioxygen activation by a dinuclear thiolate-ligated Fe(ii) complex.
• Authors of publication: Hsieh, Chang-Chih; Liu, Yu-Chiao; Tseng, Mei-Chun; Chiang, Ming-Hsi; Horng, Yih-Chern
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 379 - 386
• a: 7.838 ± 0.002 Å
• b: 19.043 ± 0.006 Å
• c: 15.788 ± 0.005 Å
• α: 90°
• β: 96.21 ± 0.02°
• γ: 90°
• Cell volume: 2342.7 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1516
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No