Information card for entry 7221007

Structure parameters

• Common name: pdohfhb
• Chemical name: pdohfhb
• Formula: C34 H25 N2 O3 P Pd
• Calculated formula: C34 H25 N2 O3 P Pd
• SMILES: c12ccc3ccccc3c1C=[N]1N=C(c3ccco3)O[Pd]1(O2)[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: 15.5191 ± 0.0014 Å
• b: 9.0388 ± 0.0008 Å
• c: 19.9113 ± 0.0017 Å
• α: 90°
• β: 97.858 ± 0.003°
• γ: 90°
• Cell volume: 2766.8 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No