Information card for entry 7245467

Structure parameters

• Formula: C36 H30 Br2 N10 Ni O2
• Calculated formula: C36 H30 Br2 N10 Ni O2
• Title of publication: Nickel(i)-catalyzed (de)hydrogenative coupling of amines and alkyl heteroarenes with alcohols
• Authors of publication: Zhang, Chunyan; Liang, Qianqian; Yang, Wei; Zhang, Guohui; Hu, Maolin; Zhang, Guoying
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 19
• Pages of publication: 7368 - 7375
• a: 17.2287 ± 0.0005 Å
• b: 17.2287 ± 0.0005 Å
• c: 50.201 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14901.1 ± 1.1 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1898
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No