Information card for entry 4327503

Structure parameters

• Common name: MoFe3 doubly bridged double cubane with dmpe and S brigding ligands
• Formula: C55 H105 Cl22 Fe6 Mo2 O4 P10 S9
• Calculated formula: C55 H105 Cl22 Fe6 Mo2 O4 P10 S9
• 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: 25.5705 ± 0.0003 Å
• b: 24.9521 ± 0.0003 Å
• c: 32.8954 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20988.5 ± 0.4 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1736
• Residual factor for significantly intense reflections: 0.1188
• Weighted residual factors for significantly intense reflections: 0.2121
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No