Information card for entry 4322894

Structure parameters

• Formula: C24 H52 Cl4 Fe6 I2 N4 S8
• Calculated formula: C24 H52 Cl4 Fe6 I2 N4 S8
• Title of publication: Synthesis and Characterization of Neutral Hexanuclear Iron Sulfur Clusters Containing Stair-like [Fe6(μ3-S)4(μ2-SR)4] and Nest-like [Fe6(μ3-S)2(μ2-S)2(μ4-S)(μ2-SR)4] Core Structures
• Authors of publication: Frank Osterloh; Wolfgang Saak; Siegfried Pohl; Monika Kroeckel; Christian Meier; Alfred X. Trautwein
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3581 - 3587
• a: 15.705 ± 0.002 Å
• b: 10.602 ± 0.001 Å
• c: 16.04 ± 0.002 Å
• α: 90°
• β: 114.93 ± 0.01°
• γ: 90°
• Cell volume: 2421.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections: 0.1238
• Weighted residual factors for significantly intense reflections: 0.1036
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No