Information card for entry 7135406

Structure parameters

• Chemical name: 1,3-di(1H-1,2,3-triazol-1-yl)propan-2-yl stearate
• Formula: C25 H44 N6 O2
• Calculated formula: C25 H44 N6 O2
• Title of publication: „Inverted” hysteresis in bilayer Fe(II) spin crossover system
• Authors of publication: Tołoczko, Aleksandra; Kaźmierczak, Marcin; Maliuzhenko, Vladyslav; Siczek, Miłosz; Weselski, Marek; Bronisz, Robert
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 5.376 ± 0.002 Å
• b: 8.035 ± 0.003 Å
• c: 31.164 ± 0.008 Å
• α: 85.73 ± 0.03°
• β: 88.55 ± 0.03°
• γ: 74.99 ± 0.04°
• Cell volume: 1296.6 ± 0.8 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No