Information card for entry 7707847

Structure parameters

• Common name: AT486 / Compound 2
• Chemical name: [2-(Aminomethyl)phenyl-κ2-C,N]iodotriphenylphosphinepalladium
• Formula: C25.5 H24 Cl I N P Pd
• Calculated formula: C25.5 H24 Cl I N P Pd
• SMILES: I[Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[NH2]Cc2c1cccc2.ClCCl
• Title of publication: Synthesis and [*C]CO-labelling of (C,N) <i>gem</i>-dimethylbenzylamine-palladium complexes for potential applications in positron emission tomography.
• Authors of publication: Cormier, Morgan; Tabey, Alexis; Christine, Thifanie; Audrain, Hélène; Fouquet, Eric; Hermange, Philippe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 30
• Pages of publication: 10608 - 10614
• a: 14.0231 ± 0.0008 Å
• b: 22.4946 ± 0.0016 Å
• c: 30.2437 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9540.2 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No