Information card for entry 4320514

Structure parameters

• Common name: (Et4N)2[(Cl4-cat)Mo(MeCN)Fe3S4Cl3]
• Formula: C24 H43 Cl7 Fe3 Mo N3 O2 S4
• Calculated formula: C24 Cl7 Fe3 Mo N3 O2 S4
• Title of publication: Rational Synthesis of High Nuclearity Mo/Fe/S Clusters: The Reductive Coupling Approach in the Convenient Synthesis of (Cl4-cat)2Mo2Fe6S8(PR3)6 [R = Et, nPr, nBu] and the New [(Cl4-cat)2Mo2Fe2S3O(PEt3)3Cl].1/2(Fe(PEt3)2(MeCN)4) and (Cl4-cat)2Mo2Fe3S5(PEt3)5 Clusters
• Authors of publication: Jaehong Han; Markos Koutmos; Saleem Al Ahmad; Dimitri Coucouvanis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5985 - 5999
• a: 13.09 ± 0.003 Å
• b: 19.775 ± 0.004 Å
• c: 9.6856 ± 0.0019 Å
• α: 90°
• β: 126.75 ± 0.03°
• γ: 90°
• Cell volume: 2008.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No