Information card for entry 7239138

Structure parameters

• Formula: C14 H24 Br2 N6 Pd
• Calculated formula: C14 H24 Br2 N6 Pd
• Title of publication: Simple, efficient and reusable Pd‒NHC catalysts for hydroamination
• Authors of publication: Chen, Qian; Lv, Lanlan; Yu, Meng; Shi, Yanhui; Li, Yuling; Pang, Guangsheng; Cao, Changsheng
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 40
• Pages of publication: 18359
• a: 16.0644 ± 0.0018 Å
• b: 9.4857 ± 0.0011 Å
• c: 13.3115 ± 0.0016 Å
• α: 90°
• β: 100.765 ± 0.003°
• γ: 90°
• Cell volume: 1992.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1493
• Residual factor for significantly intense reflections: 0.1349
• Weighted residual factors for significantly intense reflections: 0.3353
• Weighted residual factors for all reflections included in the refinement: 0.3444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No