Information card for entry 7243965

Structure parameters

• Formula: C16 H17 Br2 N3 Pd
• Calculated formula: C16 H17 Br2 N3 Pd
• Title of publication: C(acyl)–C(sp2) and C(sp2)–C(sp2) Suzuki–Miyaura cross-coupling reactions using nitrile-functionalized NHC palladium complexes
• Authors of publication: Çakır, Sinem; Kavukcu, Serdar Batıkan; Karabıyık, Hande; Rethinam, Senthil; Türkmen, Hayati
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 60
• Pages of publication: 37684 - 37699
• a: 10.0563 ± 0.0005 Å
• b: 14.191 ± 0.0009 Å
• c: 14.2442 ± 0.0009 Å
• α: 72.709 ± 0.005°
• β: 72.523 ± 0.005°
• γ: 72.84 ± 0.005°
• Cell volume: 1803.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No