Information card for entry 7028205

Structure parameters

• Formula: C62 H72 F6 Fe2 Mo2 N10 O12 S2
• Calculated formula: C62 H72 F6 Fe2 Mo2 N10 O12 S2
• Title of publication: Iron-molybdenum-oxo complexes as initiators for olefin autoxidation with O2.
• Authors of publication: Falkenhagen, Jan P.; Limberg, Christian; Demeshko, Serhiy; Horn, Sebastian; Haumann, Michael; Braun, Beatrice; Mebs, Stefan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 806 - 816
• a: 11.6964 ± 0.0002 Å
• b: 20.4165 ± 0.0004 Å
• c: 29.0322 ± 0.0005 Å
• α: 91.626 ± 0.001°
• β: 90.65 ± 0.001°
• γ: 96.328 ± 0.001°
• Cell volume: 6887.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0864
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No