Information card for entry 7008200

Structure parameters

• Common name: (Cl4-cat)Mo(O)Fe2S2(PnPR3)2(CO)4
• Chemical name: (Cl4-cat)Mo(O)Fe2S2(PnPR3)2(CO)4
• Formula: C31 H49 Cl4 Fe2 Mo O7 P2 S2
• Calculated formula: C31 H49 Cl4 Fe2 Mo O7 P2 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: 9.4995 ± 0.0004 Å
• b: 14.0311 ± 0.0005 Å
• c: 16.7235 ± 0.0006 Å
• α: 103.617 ± 0.001°
• β: 100.95 ± 0.001°
• γ: 94.649 ± 0.001°
• Cell volume: 2108.39 ± 0.14 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2164
• Residual factor for significantly intense reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.2684
• Weighted residual factors for all reflections included in the refinement: 0.3231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No