Information card for entry 7063235

Structure parameters

• Formula: C96 H80 Cl14 Fe2 N8 O28 Zn4
• Calculated formula: C96 H80 Cl14 Fe2 N8 O28 Zn4
• Title of publication: Hexanuclear {ZnII4FeIII2} and {ZnII4CrIII2} complexes from the use of potentially tetradentate NOO′O′′ Schiff-base ligands
• Authors of publication: Pantelis, Konstantinos N.; Skiadas, Sotiris G.; Lada, Zoi G.; Clérac, Rodolphe; Sanakis, Yiannis; Dechambenoit, Pierre; Perlepes, Spyros P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 25
• Pages of publication: 11221 - 11232
• a: 12.2993 ± 0.0011 Å
• b: 15.6707 ± 0.0013 Å
• c: 15.6934 ± 0.0013 Å
• α: 67.497 ± 0.003°
• β: 72.688 ± 0.003°
• γ: 83.591 ± 0.003°
• Cell volume: 2667.8 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No