Information card for entry 7053237

Structure parameters

• Formula: C17 H36 Li N3 Zn
• Calculated formula: C17 H36 Li N3 Zn
• SMILES: [Zn]1([N]2(C(CCCC2(C)C)(C)C)[Li]2[N](CC[N]2(C)C)(C1)C)C=C
• Title of publication: Taming the shrew: [TMEDALi-Zn(C2H4)2L] as a model compound for anionic ethene polymerisation
• Authors of publication: Saßmannshausen, Jörg; Klett, Jan; Kennedy, Alan R.; Parkinson, John A.; Armstrong, David
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 2
• Pages of publication: 494
• a: 10.3386 ± 0.0006 Å
• b: 10.3386 ± 0.0006 Å
• c: 37.798 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4040.1 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No