Information card for entry 7024671

Structure parameters

• Formula: C24 H40 Fe2 S4
• Calculated formula: C24 H40 Fe2 S4
• Title of publication: Insertion reactions of CS2, COS, and PhNCS at thiolate-bridged diiron centers.
• Authors of publication: Chen, Yanhui; Peng, Ying; Chen, Pingping; Zhao, Jinfeng; Liu, Litao; Li, Yang; Chen, Shuoyi; Qu, Jingping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 12
• Pages of publication: 3020 - 3025
• a: 18.9893 ± 0.0006 Å
• b: 12.8536 ± 0.0006 Å
• c: 11.2639 ± 0.0005 Å
• α: 90°
• β: 92.964 ± 0.004°
• γ: 90°
• Cell volume: 2745.6 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0321
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No