Information card for entry 7222014

Structure parameters

• Common name: pdmsna
• Chemical name: pdmsna
• Formula: C37 H29 N2 O4 P Pd
• Calculated formula: C37 H29 N2 O4 P Pd
• SMILES: C1=[N]2N=C(c3cc4ccccc4cc3O)O[Pd]2(Oc2c1ccc(c2)OC)[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: 15.087 ± 0.002 Å
• b: 21.144 ± 0.003 Å
• c: 9.3879 ± 0.0015 Å
• α: 90°
• β: 94.528 ± 0.008°
• γ: 90°
• Cell volume: 2985.4 ± 0.8 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: 0.0964
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No