Information card for entry 7717105

Structure parameters

• Formula: C27 H51 N11
• Calculated formula: C27 H51 N11
• Title of publication: Gradual spin crossover behavior encompassing room temperature in an Iron(II) complex based on heteroscorpionate ligand
• Authors of publication: Horniichuk, Oleksandr; Vendier, Laure; Salmon, Lionel; Bousseksou, Azzedine
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 9.7821 ± 0.0004 Å
• b: 8.2254 ± 0.0004 Å
• c: 19.3571 ± 0.0007 Å
• α: 90°
• β: 91.447 ± 0.003°
• γ: 90°
• Cell volume: 1557.01 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No