Information card for entry 7716286

Structure parameters

• Formula: C23 H26 Fe N6 O S2
• Calculated formula: C23 H26 Fe N6 O S2
• Title of publication: Chiral spin-crossover complexes based on an enantiopure Schiff base ligand with three chiral carbon centers.
• Authors of publication: Regueiro, Alejandro; García-López, Víctor; Forment-Aliaga, Alicia; Clemente-León, Miguel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 25
• Pages of publication: 10637 - 10643
• a: 8.9762 ± 0.0008 Å
• b: 14.6245 ± 0.0011 Å
• c: 9.7166 ± 0.0006 Å
• α: 90°
• β: 96.509 ± 0.007°
• γ: 90°
• Cell volume: 1267.3 ± 0.17 ų
• Cell temperature: 249.9 ± 0.14 K
• Ambient diffraction temperature: 249.9 ± 0.14 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No