Information card for entry 7101105

Structure parameters

• Formula: C18 H18 Fe4 O8 S6
• Calculated formula: C18 H18 Fe4 O8 S6
• Title of publication: A Novel {FeI-FeII-FeII-FeI} Iron Thiolate Carbonyl Assembly which Electrocatalyses Hydrogen Evolution
• Authors of publication: Christopher John Pickett; David L. Hughes; Xiaoming Liu; Cedric Tard
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 1
• a: 9.837 ± 0.002 Å
• b: 12.119 ± 0.002 Å
• c: 14.101 ± 0.003 Å
• α: 101.85 ± 0.03°
• β: 105.13 ± 0.03°
• γ: 114.56 ± 0.03°
• Cell volume: 1378.5 ± 0.5 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No