Information card for entry 4327505

Structure parameters

• Formula: C20 H48 Cl2 Fe4 P4 S4
• Calculated formula: C20 H45 Cl2 Fe4 P4 S4
• Title of publication: Synthesis and Structure of Singly Bridged and Doubly Bridged [MoFe3S4] Double Cubanes with Bidentate Phosphine Ligands
• Authors of publication: Jaehong Han; Dimitri Coucouvanis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2738 - 2746
• a: 13.8575 ± 0.0001 Å
• b: 15.0055 ± 0.0002 Å
• c: 17.0131 ± 0.0001 Å
• α: 90°
• β: 105.381 ± 0.001°
• γ: 90°
• Cell volume: 3410.97 ± 0.06 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 6
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No