Information card for entry 7063236

Structure parameters

• Formula: C96 H82 Cr2 N12 O28 Zn4
• Calculated formula: C96 H82 Cr2 N12 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; Skiadas, Sotiris G.; Lada, Zoi G.; Clerac, Rodolphe; Sanakis, Yiannis; Dechambenoit, Pierre; Perlepes, Spyros
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 12.3043 ± 0.0005 Å
• b: 14.2093 ± 0.0006 Å
• c: 15.7458 ± 0.0007 Å
• α: 109.169 ± 0.002°
• β: 90.594 ± 0.002°
• γ: 113.395 ± 0.002°
• Cell volume: 2354.85 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0376
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No