Information card for entry 4518034

Structure parameters

• Formula: C16 H18 Cl2 N2 Pd
• Calculated formula: C16 H18 Cl2 N2 Pd
• SMILES: [Pd]1([N](=Cc2[n]1cccc2)c1ccccc1C(C)(C)C)(Cl)Cl
• Title of publication: Ligand Steric Effects of α-Diimine Nickel(II) and Palladium(II) Complexes in the Suzuki-Miyaura Cross-Coupling Reaction.
• Authors of publication: Talukder, Md Muktadir; Cue, John Michael O.; Miller, Justin T.; Gamage, Prabhath L.; Aslam, Amina; McCandless, Gregory T.; Biewer, Michael C.; Stefan, Mihaela C.
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 37
• Pages of publication: 24018 - 24032
• a: 8.623 ± 0.003 Å
• b: 9.493 ± 0.003 Å
• c: 11.552 ± 0.004 Å
• α: 112.209 ± 0.01°
• β: 107.067 ± 0.009°
• γ: 96.813 ± 0.01°
• Cell volume: 808.3 ± 0.5 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: 0.0267
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No