Information card for entry 4125210

Structure parameters

• Common name: eishl03
• Formula: C60 H96 Fe2 N2 S8
• Calculated formula: C60 H96 Fe2 N2 S8
• Title of publication: Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.
• Authors of publication: Lv, Hongjin; Ruberu, T Purnima A; Fleischauer, Valerie E.; Brennessel, William W.; Neidig, Michael L.; Eisenberg, Richard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 36
• Pages of publication: 11654 - 11663
• a: 34.115 ± 0.002 Å
• b: 34.115 ± 0.002 Å
• c: 15.1763 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15296.3 ± 1.6 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No