Information card for entry 7024673

Structure parameters

• Formula: C24 H39 Fe2 S5
• Calculated formula: C24 H39 Fe2 S5
• SMILES: [Fe]123456([S]([Fe]789%10([S]1C)(SC(=[S]2)SC)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• 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: 16.2519 ± 0.0006 Å
• b: 16.6115 ± 0.0006 Å
• c: 22.6704 ± 0.0009 Å
• α: 70.051 ± 0.002°
• β: 89.969 ± 0.002°
• γ: 83.232 ± 0.002°
• Cell volume: 5707.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No