Information card for entry 4086684

Structure parameters

• Common name: L2Zn3
• Formula: C43 H46 Cl2 N6 O2 Zn3
• Calculated formula: C43 H46 Cl2 N6 O2 Zn3
• SMILES: [Zn@]12([n]3c(cccc3c3[n]1cccc3)N1[Zn]34N(c5[n]6[Zn@]([n]7ccccc7c6ccc5)([O]4c4ccccc4[C@@H]1CC)CC)[C@H](c1ccccc1[O]23)CC)CC.ClCCl.[Zn@@]12([n]3c(cccc3c3[n]1cccc3)N1[Zn]34N(c5[n]6[Zn@@]([n]7ccccc7c6ccc5)([O]4c4ccccc4[C@H]1CC)CC)[C@@H](c1ccccc1[O]23)CC)CC.ClCCl
• 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: 11.4222 ± 0.0017 Å
• b: 13.761 ± 0.002 Å
• c: 26.609 ± 0.004 Å
• α: 90°
• β: 100.522 ± 0.002°
• γ: 90°
• Cell volume: 4112.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No