Information card for entry 4071284

Structure parameters

• Formula: C66 H82 Cl10 N4 Pd2
• Calculated formula: C66 H82 Cl10 N4 Pd2
• SMILES: c1(ccccc1/C=N/c1c(cccc1C(C)C)C(C)C)C=[N](c1c(cccc1C(C)C)C(C)C)[Pd]1(Cl)[Cl][Pd]([N](=Cc2ccccc2/C=N/c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)(Cl)[Cl]1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: From Pyrroles to Isoindolines: Synthesis of a γ-Diimine Ligand for Applications in Palladium Coordination Chemistry and Catalysis
• Authors of publication: Chitanda, Jackson M.; Prokopchuk, Demyan E.; Quail, J. Wilson; Foley, Stephen R.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2337
• a: 12.521 ± 0.0003 Å
• b: 10.182 ± 0.0002 Å
• c: 27.5197 ± 0.0006 Å
• α: 90°
• β: 94.7006 ± 0.0008°
• γ: 90°
• Cell volume: 3496.65 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0949
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No