Information card for entry 7224294

Structure parameters

• Common name: pdbpn
• Chemical name: pdbpn
• Formula: C18 H13 Cl N4 O Pd
• Calculated formula: C18 H13 Cl N4 O Pd
• 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: 13.0361 ± 0.0007 Å
• b: 12.7404 ± 0.0008 Å
• c: 20.0773 ± 0.0016 Å
• α: 90°
• β: 94.398 ± 0.002°
• γ: 90°
• Cell volume: 3324.7 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.1934
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No