Information card for entry 4083507

Structure parameters

• Chemical name: {2,6-Dimethyl-N-(1-(6-(benzo[d]oxazol-2-yl)pyridin- 2-yl)ethylidene)benzenamine} dibromonickel
• Formula: C22 H19 Br2 N3 Ni O
• Calculated formula: C22 H19 Br2 N3 Ni O
• SMILES: Br[Ni]12(Br)[n]3c(C(=[N]1c1c(C)cccc1C)C)cccc3c1oc3c([n]21)cccc3
• Title of publication: Nickel(II) Complexes Chelated by 2-Arylimino-6-benzoxazolylpyridine: Syntheses, Characterization, and Ethylene Oligomerization
• Authors of publication: Gao, Rong; Zhang, Min; Liang, Tongling; Wang, Fosong; Sun, Wen-Hua
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 5641
• a: 9.2389 ± 0.0018 Å
• b: 9.817 ± 0.002 Å
• c: 11.656 ± 0.002 Å
• α: 91.31 ± 0.03°
• β: 98.99 ± 0.03°
• γ: 95.83 ± 0.03°
• Cell volume: 1038 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No