Information card for entry 7706191

Structure parameters

• Formula: C23 H29 Cl2 Fe N5 O4 S2
• Calculated formula: C23 H29 Cl2 Fe N5 O4 S2
• 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: 7.80925 ± 0.00005 Å
• b: 18.68619 ± 0.00009 Å
• c: 9.50696 ± 0.00005 Å
• α: 90°
• β: 93.6941 ± 0.0005°
• γ: 90°
• Cell volume: 1384.42 ± 0.013 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No