Information card for entry 1552149

Structure parameters

• Formula: C44 H56 Br2 N2 Ni
• Calculated formula: C44 H56 Br2 N2 Ni
• SMILES: Br[Ni]1(Br)[N](=C2C(=[N]1c1c(C(CC)CC)cccc1C(CC)CC)c1cccc3c1c2ccc3)c1c(cccc1C(CC)CC)C(CC)CC
• Title of publication: Bulky yet flexible substituents in insertion polymerization with α-diimine nickel and palladium systems
• Authors of publication: Guo, Lihua; Sun, Wenting; Li, Shuaikang; Xu, Guoyong; Dai, Shengyu
• Journal of publication: Polymer Chemistry
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 35
• Pages of publication: 4866
• a: 11.341 ± 0.002 Å
• b: 17.349 ± 0.003 Å
• c: 20.734 ± 0.003 Å
• α: 89.688 ± 0.005°
• β: 82.245 ± 0.006°
• γ: 88.268 ± 0.005°
• Cell volume: 4040.4 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1099
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No