Information card for entry 7061643

Structure parameters

• Formula: C20 H18 Fe N8 S2 Se2
• Calculated formula: C20 H18 Fe N8 S2 Se2
• Title of publication: High spin iron(ii) complexes based on imidazolyl- and 1,2,3-triazolyl-thione ligands and NCE (E = S, Se or BH3) co-ligands: effect of the S-functional group on the structural and magnetic properties
• Authors of publication: Plaza-Lozano, Diego; Ramírez-Palma, David; Vela, Alberto; Olguín, Juan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 31
• Pages of publication: 14910 - 14921
• a: 10.0926 ± 0.0007 Å
• b: 15.8607 ± 0.001 Å
• c: 7.8392 ± 0.0005 Å
• α: 90°
• β: 99.955 ± 0.002°
• γ: 90°
• Cell volume: 1235.97 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No