Information card for entry 4086686

Structure parameters

• Common name: NiTolylPy
• Formula: C48 H37 N5 Ni O
• Calculated formula: C48 H37 N5 Ni O
• SMILES: [Ni]1(Oc2c(C=[N]1c1nc(c3ncccc3)ccc1)cccc2c1c2c(cccc2)cc2ccccc12)([n]1ccccc1)c1c(cccc1)C.n1ccccc1
• 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: 11.9581 ± 0.0013 Å
• b: 12.6258 ± 0.0014 Å
• c: 14.9802 ± 0.0017 Å
• α: 66.383 ± 0.002°
• β: 67.701 ± 0.002°
• γ: 73.736 ± 0.002°
• Cell volume: 1895.3 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0549
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No