Information card for entry 7222013

Structure parameters

• Common name: pdmssh
• Chemical name: pdmssh
• Formula: C33 H27 N2 O4 P Pd
• Calculated formula: C33 H27 N2 O4 P Pd
• SMILES: c12O[Pd]3([N](=Cc2ccc(c1)OC)N=C(c1c(cccc1)O)O3)[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: 11.0075 ± 0.0005 Å
• b: 28.2609 ± 0.0012 Å
• c: 8.8037 ± 0.0004 Å
• α: 90°
• β: 92.227 ± 0.002°
• γ: 90°
• Cell volume: 2736.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No