Information card for entry 7715545

Structure parameters

• Formula: C29 H39 B2 Fe N7 O4
• Calculated formula: C24 H22 B2 Fe N6
• 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: 9.8102 ± 0.0006 Å
• b: 9.8102 ± 0.0006 Å
• c: 17.649 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1698.5 ± 0.3 ų
• Cell temperature: 300.15 K
• Ambient diffraction temperature: 300.15 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: 0.0598
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No