Information card for entry 4086685

Structure parameters

• Common name: NiZnCl2TolylPyBipy
• Formula: C44 H47 Cl2 N5 Ni O4 Zn
• Calculated formula: C44 H47 Cl2 N5 Ni O4 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2ccccc2c2[n]1c([N]1=Cc3c(O[Ni]1([n]1ccccc1)c1c(cccc1)C)c(cc(c3)N(=O)=O)C(C)(C)C)ccc2.O1CCCC1.c1ccc(C)cc1
• Title of publication: ZnCl2Capture Promotes Ethylene Polymerization by a Salicylaldiminato Ni Complex Bearing a Pendent 2,2′-Bipyridine Group
• Authors of publication: Smith, Abigail J.; Kalkman, Eric D.; Gilbert, Zachary W.; Tonks, Ian A.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 15
• Pages of publication: 2429
• a: 9.3954 ± 0.0011 Å
• b: 13.4704 ± 0.0016 Å
• c: 19.244 ± 0.002 Å
• α: 86.949 ± 0.002°
• β: 84.767 ± 0.002°
• γ: 80.539 ± 0.002°
• Cell volume: 2390.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No