Information card for entry 7224295

Structure parameters

• Common name: pdsnah
• Chemical name: pdsnah
• Formula: C17 H12 Cl N3 O2 Pd
• Calculated formula: C17 H12 Cl N3 O2 Pd
• SMILES: c1ccc(C2=N[N]3=C(c4cccc[n]4[Pd]3(O2)Cl)c2ccccc2)o1
• Title of publication: Pd(ii) pincer type complex catalyzed tandem C‒H and N‒H activation of acetanilide in aqueous media: a concise access to functionalized carbazoles in a single step
• Authors of publication: Arumugam, Vignesh; Kaminsky, Werner; Nallasamy, Dharmaraj
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 11
• Pages of publication: 3295
• a: 18.2644 ± 0.0011 Å
• b: 9.0854 ± 0.0006 Å
• c: 19.045 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3160.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No