Information card for entry 7706190

Structure parameters

• Formula: C24 H22 Cl4 Fe2 N6 O2
• Calculated formula: C24 H22 Cl4 Fe2 N6 O2
• Title of publication: Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis.
• Authors of publication: Verhoeven, Dide G. A.; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17674 - 17682
• a: 7.4259 ± 0.0003 Å
• b: 8.5641 ± 0.0003 Å
• c: 10.8957 ± 0.0004 Å
• α: 82.941 ± 0.003°
• β: 84.961 ± 0.003°
• γ: 77.506 ± 0.003°
• Cell volume: 670.04 ± 0.04 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No