Information card for entry 7222011

Structure parameters

• Common name: pdsash
• Chemical name: pdsash
• Formula: C32 H25 N2 O3 P Pd
• Calculated formula: C32 H25 N2 O3 P Pd
• SMILES: c12ccccc1C=[N]1N=C(c3c(cccc3)O)O[Pd]1(O2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: ONO Pincer type Pd(II) complexes: Synthesis, crystal structure and catalytic activity towards C-2 arylation of quinoline scaffolds
• Authors of publication: ARUMUGAM, VIGNESH; Kaminsky, Werner; Nallasamy, Dharmaraj
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.2348 ± 0.0005 Å
• b: 10.1529 ± 0.0005 Å
• c: 15.3801 ± 0.001 Å
• α: 97.685 ± 0.004°
• β: 90.359 ± 0.004°
• γ: 110.319 ± 0.004°
• Cell volume: 1338 ± 0.14 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No