Information card for entry 7703087

Structure parameters

• Formula: C40 H47 Fe3 K O19 S
• Calculated formula: C40 H47 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: 11.695 ± 0.0003 Å
• b: 15.2437 ± 0.0004 Å
• c: 15.3863 ± 0.0004 Å
• α: 63 ± 0.003°
• β: 70.31 ± 0.002°
• γ: 87.375 ± 0.002°
• Cell volume: 2282.27 ± 0.13 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: 0.0364
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No