Information card for entry 7011740

Structure parameters

• Common name: aw0123
• Formula: C30 H35 Li N4 O Zn
• Calculated formula: C30 H35 Li N4 O Zn
• SMILES: [Zn]12([N](c3cccc[n]43)(c3ccccc3)[Li]4([O]3CCCC3)[N]1(c1[n]2cccc1)c1ccccc1)C(C)(C)C
• Title of publication: Oxygen scavenging by lithium zincates: the synthesis, structural characterisation and derivatisation of [Ph(2-C5H4N)N]2ZnRLi??nthf (R = But, Bun; n = 1, 2)
• Authors of publication: Boss, Sally R.; Haigh, Robert; Linton, David J.; Wheatley, Andrew E. H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 3129
• a: 9.6358 ± 0.0005 Å
• b: 17.4699 ± 0.0009 Å
• c: 16.9408 ± 0.0005 Å
• α: 90°
• β: 93.23 ± 0.003°
• γ: 90°
• Cell volume: 2847.2 ± 0.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.093
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No