Information card for entry 7716422

Structure parameters

• Formula: C30 H46 Br2 Cl2 N6 Pd
• Calculated formula: C30 H46 Br2 Cl2 N6 Pd
• 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: 17.7755 ± 0.0004 Å
• b: 18.4999 ± 0.0004 Å
• c: 10.983 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3611.7 ± 0.13 ų
• Cell temperature: 183 K
• Ambient diffraction temperature: 183 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No