Information card for entry 7222012

Structure parameters

• Common name: pdsnah
• Chemical name: pdsnah
• Formula: C36 H27 N2 O3 P Pd
• Calculated formula: C36 H27 N2 O3 P Pd
• SMILES: c12ccccc1C=[N]1N=C(c3c(cc4ccccc4c3)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: 8.8683 ± 0.0004 Å
• b: 21.5484 ± 0.001 Å
• c: 15.2026 ± 0.0007 Å
• α: 90°
• β: 96.079 ± 0.003°
• γ: 90°
• Cell volume: 2888.8 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No