Information card for entry 1516926

Structure parameters

• Formula: C38 H44 Br2 N2 Ni
• Calculated formula: C38 H44 Br2 N2 Ni
• SMILES: c1(cc(cc(c1[N]1[Ni](Br)(Br)[N](c2c(cc([C@@H](c3ccccc3)C)cc2CC)C)=C(C=1C)C)CC)[C@H](c1ccccc1)C)C
• Title of publication: Chiral {bis[N,N'-(2-ethyl-6-methylphenyl)imino]-1,2-dimethylethane} dibromonickel bearing sec-phenethyl groups: Synthesis, characterization and application in synthesis of nanosized dendritic polyethylene
• Authors of publication: Jianchao Yuan; Fengying Song; Jing Li; Zong Jia; Fuzhou Wang; Bingnian Yuan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 99 - 106
• a: 12.214 ± 0.01 Å
• b: 25.21 ± 0.02 Å
• c: 12.436 ± 0.011 Å
• α: 90°
• β: 106.149 ± 0.009°
• γ: 90°
• Cell volume: 3678 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2789
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2251
• Weighted residual factors for all reflections included in the refinement: 0.296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No