Information card for entry 1546333

Structure parameters

• Formula: C26 H36 N4 O6 Pd2
• Calculated formula: C26 H36 N4 O6 Pd2
• SMILES: [Pd]12([O]=C(CNC(=O)C)O[Pd]3([N](Cc4c3cccc4)(C)C)([O]=C(O1)CNC(=O)C))[N](Cc1c2cccc1)(C)C
• Title of publication: Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization
• Authors of publication: Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 12.609 ± 0.003 Å
• b: 12.998 ± 0.003 Å
• c: 18.154 ± 0.004 Å
• α: 81.932 ± 0.007°
• β: 84.577 ± 0.007°
• γ: 82.253 ± 0.007°
• Cell volume: 2910.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No