Information card for entry 7716420

Structure parameters

• Formula: C31 H44 Br2 Cl6 N6 Pd
• Calculated formula: C31 H44 Br2 Cl6 N6 Pd
• Title of publication: Electron-rich pyridines with para-N-heterocyclic imine substituents: ligand properties and coordination to CO2, SO2, BCl3 and PdII complexes
• Authors of publication: Franzen, Jonas Hermann; Wilm, Lukas F. B.; Rotering, Philipp; Wurst, Klaus; Seidl, Michael; Dielmann, Fabian
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 10.4329 ± 0.0002 Å
• b: 12.7505 ± 0.0003 Å
• c: 30.4283 ± 0.0006 Å
• α: 90°
• β: 95.4543 ± 0.001°
• γ: 90°
• Cell volume: 4029.39 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No