Information card for entry 7221008

Structure parameters

• Formula: C35 H26 N3 O2 P Pd
• Calculated formula: C35 H26 N3 O2 P Pd
• SMILES: [Pd]12(OC(=N[N]1=Cc1c(ccc3c1cccc3)O2)c1ccncc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Palladium(II) complexes containing ONO tridentate hydrazone for Suzuki- Miyaura coupling of aryl chlorides in aqueous-organic media.
• Authors of publication: Arumugam, Vignesh; Kaminsky, Werner; Bhuvanesh, Nattamai; Nallasamy, Dharmaraj
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 15.3735 ± 0.0013 Å
• b: 8.9176 ± 0.0008 Å
• c: 20.6686 ± 0.0015 Å
• α: 90°
• β: 97.251 ± 0.005°
• γ: 90°
• Cell volume: 2810.9 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No