Information card for entry 7001633

Structure parameters

• Formula: C16 H16 F6 Fe N2 O6 S4
• Calculated formula: C16 H16 F6 Fe N2 O6 S4
• Title of publication: Towards robust alkane oxidation catalysts: electronic variations in non-heme iron(ii) complexes and their effect in catalytic alkane oxidation
• Authors of publication: England, Jason; Gondhia, Reema; Bigorra-Lopez, Laura; Petersen, Allan R.; White, Andrew J. P.; Britovsek, George J. P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 27
• Pages of publication: 5319 - 5334
• a: 8.2056 ± 0.0002 Å
• b: 15.9411 ± 0.0005 Å
• c: 18.1132 ± 0.0005 Å
• α: 90°
• β: 102.141 ± 0.003°
• γ: 90°
• Cell volume: 2316.33 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No