Information card for entry 7245980

Structure parameters

• Formula: C7 H12 Cl4 Fe N O
• Calculated formula: C7 H12 Cl4 Fe N O
• Title of publication: Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions
• Authors of publication: González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 4
• Pages of publication: 579 - 592
• a: 6.4885 ± 0.0006 Å
• b: 14.7897 ± 0.0014 Å
• c: 13.388 ± 0.0012 Å
• α: 90°
• β: 97.518 ± 0.003°
• γ: 90°
• Cell volume: 1273.7 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No