Information card for entry 7016183

Structure parameters

• Formula: C39 H46 Cl2 F6 Fe N4 O6 S2
• Calculated formula: C38.99 H45.98 Cl2 F6 Fe N4 O6 S2
• Title of publication: New iron(ii) α-iminopyridine complexes and their catalytic activity in the oxidation of activated methylene groups and secondary alcohols to ketones.
• Authors of publication: Shejwalkar, Pushkar; Rath, Nigam P.; Bauer, Eike B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 29
• Pages of publication: 7617 - 7631
• a: 15.8415 ± 0.0013 Å
• b: 14.8314 ± 0.001 Å
• c: 20.2777 ± 0.0016 Å
• α: 90°
• β: 110.005 ± 0.004°
• γ: 90°
• Cell volume: 4476.8 ± 0.6 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: 0.1922
• Residual factor for significantly intense reflections: 0.1061
• Weighted residual factors for significantly intense reflections: 0.2305
• Weighted residual factors for all reflections included in the refinement: 0.2894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No