Information card for entry 7016182

Structure parameters

• Formula: C35 H38.5 Cl2 F6 Fe N4 O6.25 S2
• Calculated formula: C35 H38 Cl2 F6 Fe N4 O6.25 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: 10.7666 ± 0.0003 Å
• b: 12.561 ± 0.0004 Å
• c: 15.2293 ± 0.0005 Å
• α: 90.052 ± 0.002°
• β: 98.549 ± 0.002°
• γ: 91.483 ± 0.002°
• Cell volume: 2036.01 ± 0.11 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No