Information card for entry 1564042

Structure parameters

• Formula: C28 H30 Cl2 Fe N6 O8
• Calculated formula: C28 H30 Cl2 Fe N6 O8
• SMILES: [Fe]1234([n]5c(C(=[N]3CC[NH2]4)c3ccccc3)cccc5)[n]3c(C(=[N]2CC[NH2]1)c1ccccc1)cccc3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: pH dependent catecholase activity of Fe(II) complexes of type [Fe(L)]X2 [L = N-(phenyl-pyridin-2-yl-methylene)-ethane-1,2-diamine; X = ClO4− (1), PF6− (2)]: Role of counter anion on turnover number
• Authors of publication: Chatterjee, Arnab; Kaur, Gurpreet; Joshi, Mayank; Choudhury, Angshuman Roy; Ghosh, Rajarshi
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 513
• Pages of publication: 119933
• a: 11.4312 ± 0.0002 Å
• b: 12.5054 ± 0.0002 Å
• c: 12.8166 ± 0.0002 Å
• α: 67.053 ± 0.002°
• β: 78.555 ± 0.001°
• γ: 69.178 ± 0.002°
• Cell volume: 1573.16 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0788
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No