Information card for entry 7008202

Structure parameters

• Common name: (Cl4-cat)2MoFe2S2(depe)2(CO)2
• Chemical name: (Cl4-cat)2MoFe2S2(depe)2(CO)2
• Formula: C41 H63 Cl8 Fe2 Mo O7 P4 S2
• Calculated formula: C41 H63 Cl8 Fe2 Mo O7 P4 S2
• Title of publication: Synthesis and structure of the organometallic MFe2(mu3-S)2 clusters (M = Mo or Fe).
• Authors of publication: Han, Jaehong; Coucouvanis, Dimitri
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 7
• Pages of publication: 1234 - 1240
• a: 12.4024 ± 0.0003 Å
• b: 19.8815 ± 0.0005 Å
• c: 22.3725 ± 0.0007 Å
• α: 90°
• β: 106.357 ± 0.001°
• γ: 90°
• Cell volume: 5293.3 ± 0.2 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No