Information card for entry 7028412

Structure parameters

• Formula: C21 H22 Br2 Cl2 N4 Ni
• Calculated formula: C21 H22 Br2 Cl2 N4 Ni
• Title of publication: Synthesis and application of binuclear α-diimine nickel/palladium catalysts with a conjugated backbone.
• Authors of publication: Zhu, Liang; Fu, Zhi-Sheng; Pan, Hui-Jie; Feng, Wei; Chen, Changle; Fan, Zhi-Qiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2900 - 2906
• a: 9.11609 ± 0.00012 Å
• b: 9.11609 ± 0.00012 Å
• c: 50.8316 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3658.32 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No