Information card for entry 7711888

Structure parameters

• Formula: C80 H88 Cl8 Fe4 N12 O4
• Calculated formula: C80 H88 Cl8 Fe4 N12 O4
• Title of publication: Iron(II)-α-keto acid complexes of tridentate ligands on gold nanoparticles: the effect of ligand geometry and immobilization on their dioxygen-dependent reactivity.
• Authors of publication: Bera, Abhijit; Sheet, Debobrata; Paine, Tapan Kanti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 1062 - 1073
• a: 12.0433 ± 0.0006 Å
• b: 8.8 ± 0.0004 Å
• c: 21.8652 ± 0.0012 Å
• α: 90°
• β: 105.985 ± 0.001°
• γ: 90°
• Cell volume: 2227.7 ± 0.19 ų
• Cell temperature: 109.94 K
• Ambient diffraction temperature: 109.94 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No