Information card for entry 7715544

Structure parameters

• Formula: C27.5 H29.5 Fe N6.5 O3.5 S2
• Calculated formula: C24 H16 Fe N6 S2
• Title of publication: Two-dimensional spin-crossover coordination polymers based on the 1,1,2,2-tetra(pyridin-4-yl)ethene ligand.
• Authors of publication: Wu, Meng-Ling; Chen, Yan-Cong; Ruan, Ze-Yu; Ni, Zhao-Ping; Wu, Si-Guo; Tong, Ming-Liang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 7470 - 7476
• a: 9.5426 ± 0.0001 Å
• b: 9.5426 ± 0.0001 Å
• c: 16.2834 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1482.79 ± 0.07 ų
• Cell temperature: 120.15 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 6
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No