Information card for entry 4083508

Structure parameters

• Common name: {(E)-2,6-dibromo-N-(1-(6-(1-methyl-1H-benzo[d]imidazol-2-yl) pyridin-2-yl)ethylidene)benzenamine}dibromonickel
• Chemical name: {(E)-2,6-dibromo-N-(1-(6-(1-methyl-1H-benzo[d]imidazol-2-yl) pyridin-2-yl)ethylidene)benzenamine}dibromonickel
• Formula: C21 H17 Br4 N3 Ni O2
• Calculated formula: C21 H17 Br4 N3 Ni O2
• SMILES: Brc1cccc(Br)c1[N]1[Ni]2(Br)(Br)[n]3c(C=1C)cccc3c1oc3c([n]21)cccc3.OC
• 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: 11.11 ± 0.002 Å
• b: 15.427 ± 0.003 Å
• c: 15.714 ± 0.006 Å
• α: 90°
• β: 121.36 ± 0.02°
• γ: 90°
• Cell volume: 2299.8 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No