Information card for entry 7024672

Structure parameters

• Formula: C27 H45 Fe2 S5
• Calculated formula: C27 H45 Fe2 S5
• 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: 11.9506 ± 0.0002 Å
• b: 15.2338 ± 0.0002 Å
• c: 16.654 ± 0.0003 Å
• α: 90°
• β: 99.659 ± 0.001°
• γ: 90°
• Cell volume: 2988.93 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0429
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No