Information card for entry 7006699

Structure parameters

• Formula: C48 H84 Li N4 O4 Zn
• Calculated formula: C48 H84 Li N4 O4 Zn
• SMILES: N1(c2ccccc2N([Zn]21N(c1c(N2CC(C)(C)C)cccc1)CC(C)(C)C)CC(C)(C)C)CC(C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis and structures of some bimetallic (Li/Ca, Li/Zn, Li/Li) diamides derived from 1,2-bis(neopentylamino)benzene and of Li2[{N(SiMe2NPr(i)2)}2C6H4-1,2](thf)3.
• Authors of publication: Hitchcock, Peter B.; Lappert, Michael F.; Wei, Xue-Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 9
• Pages of publication: 1181 - 1187
• a: 11.2835 ± 0.0002 Å
• b: 14.1788 ± 0.0003 Å
• c: 15.7345 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2517.31 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 48
• Hermann-Mauguin space group symbol: P n n n :2
• Hall space group symbol: -P 2ab 2bc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No