Information card for entry 4312866

Structure parameters

• Chemical name: octakis(bis(μ3-sulfido)tricyclohexylphosphine-di-iron) ether tetrahydrofuran solvate
• Formula: C156 H292 Fe16 O3 P8 S16
• Calculated formula: C155.992 H246 Fe16 O3 P8 S16
• Title of publication: Synthesis and Reactions of Cubane-Type Iron-Sulfur-Phosphine Clusters, Including Soluble Clusters of Nuclearities 8 and 16
• Authors of publication: Hong-Cai Zhou; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 11 - 21
• a: 30.095 ± 0.002 Å
• b: 20.3615 ± 0.0014 Å
• c: 34.992 ± 0.003 Å
• α: 90°
• β: 111.092 ± 0.001°
• γ: 90°
• Cell volume: 20006 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No