Information card for entry 4338233

Structure parameters

• Formula: C40 H60 Fe10 N8 O8 S8
• Calculated formula: C40 H60 Fe10 N8 O8 S8
• Title of publication: A Tetranitrosyl [4Fe-4S] Cluster Forms En Route to Roussin's Black Anion: Nitric Oxide Reactivity of [Fe4S4(LS3)L'](2-).
• Authors of publication: Victor, Eric; Lippard, Stephen J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5311 - 5320
• a: 11.85 ± 0.0009 Å
• b: 14.8878 ± 0.0011 Å
• c: 17.1595 ± 0.0013 Å
• α: 90.142 ± 0.001°
• β: 105.806 ± 0.001°
• γ: 92.272 ± 0.001°
• Cell volume: 2910.3 ± 0.4 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: 0.0829
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No