Information card for entry 4518031

Structure parameters

• Formula: C34 H38 Cl2 N2 O Pd S
• Calculated formula: C34 H38 Cl2 N2 O Pd S
• 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: 19.383 ± 0.004 Å
• b: 20.236 ± 0.004 Å
• c: 19.392 ± 0.004 Å
• α: 90°
• β: 119.84 ± 0.01°
• γ: 90°
• Cell volume: 6598 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No