Information card for entry 7716417

Structure parameters

• Formula: C18 H28 N4 O2.5 S
• Calculated formula: C18 H28 N4 O2.5 S
• Title of publication: Electron-rich pyridines with <i>para</i>-N-heterocyclic imine substituents: ligand properties and coordination to CO₂, SO₂, BCl₃ and Pd^II complexes.
• Authors of publication: Franzen, Jonas H.; Wilm, Lukas F. B.; Rotering, Philipp; Wurst, Klaus; Seidl, Michael; Dielmann, Fabian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 28
• Pages of publication: 11876 - 11883
• a: 20.7329 ± 0.0003 Å
• b: 10.4181 ± 0.0001 Å
• c: 17.8347 ± 0.0002 Å
• α: 90°
• β: 95.7146 ± 0.0006°
• γ: 90°
• Cell volume: 3833.1 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No