Information card for entry 1564043

Structure parameters

• Formula: C28 H30 F12 Fe N6 P2
• Calculated formula: C28 H30 F12 Fe N6 P2
• SMILES: [Fe]1234([n]5c(C(=[N]1CC[NH2]4)c1ccccc1)cccc5)[n]1c(C(=[N]2CC[NH2]3)c2ccccc2)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 11.8627 ± 0.0002 Å
• b: 12.6978 ± 0.0002 Å
• c: 12.9813 ± 0.0003 Å
• α: 66.204 ± 0.002°
• β: 75.134 ± 0.002°
• γ: 70.645 ± 0.002°
• Cell volume: 1670.85 ± 0.06 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0883
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No