Information card for entry 7703086

Structure parameters

• Formula: C38 H43 Fe3 K O19 S
• Calculated formula: C38 H43 Fe3 K O19 S
• Title of publication: Facile hydrogen atom abstraction and sulfide formation in a methyl-thiolate capped iron-sulfur-carbonyl cluster.
• Authors of publication: Shupp, J. Patrick; Rose, Michael J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 23 - 26
• a: 13.248 ± 0.002 Å
• b: 14.1411 ± 0.0017 Å
• c: 14.322 ± 0.003 Å
• α: 114.37 ± 0.016°
• β: 110.071 ± 0.018°
• γ: 94.339 ± 0.015°
• Cell volume: 2220.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No