Information card for entry 7707308

Structure parameters

• Formula: C51.29 H47.58 Br2 Cl4.63 Fe4 N15 O
• Calculated formula: C51.293 H47.576 Br2 Cl4.626 Fe4 N15 O0.995
• Title of publication: Tetrairon(II) extended metal atom chains as single-molecule magnets.
• Authors of publication: Nicolini, Alessio; Affronte, Marco; SantaLucia, Daniel J.; Borsari, Marco; Cahier, Benjamin; Caleffi, Matteo; Ranieri, Antonio; Berry, John F.; Cornia, Andrea
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 22
• Pages of publication: 7571 - 7589
• a: 19.6801 ± 0.0016 Å
• b: 16.442 ± 0.0014 Å
• c: 18.6092 ± 0.0014 Å
• α: 90°
• β: 104.979 ± 0.003°
• γ: 90°
• Cell volume: 5817 ± 0.8 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 7
• 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: 0.0664
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No