Information card for entry 7028206

Structure parameters

• Formula: C33 H39 F3 Mo N6 O6 S Zn
• Calculated formula: C33 H39 F3 Mo N6 O6 S Zn
• 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: 19.2094 ± 0.0006 Å
• b: 14.0319 ± 0.0003 Å
• c: 14.447 ± 0.0004 Å
• α: 90°
• β: 106.646 ± 0.002°
• γ: 90°
• Cell volume: 3730.92 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1027
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No