Information card for entry 7250864

Structure parameters

• Formula: C43 H8 Ag2 Fe N6
• Calculated formula: C43 H8 Ag2 Fe N6
• Title of publication: Raman scattering and X-ray diffraction study of the temperature- and pressure-induced multistep spin transition in the complex {FeII(AnPy)2[AgI(CN)2]2]}·NO2bz
• Authors of publication: Remili, Yasmine; Nasimsobhan, Maryam; Turo-Cortés, Rubén; Vendier, Laure; Bartual-Murgui, Carlos; Molnár, Gábor; Bousseksou, Azzedine; Real Cabezos, José Antonio
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2025
• a: 14.3771 ± 0.0017 Å
• b: 22.028 ± 0.006 Å
• c: 14.8097 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4690.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 66
• Hermann-Mauguin space group symbol: C c c m
• Hall space group symbol: -C 2 2c
• Residual factor for all reflections: 0.2254
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2653
• Weighted residual factors for all reflections included in the refinement: 0.3359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No