Information card for entry 7006949

Structure parameters

• Formula: C52 H88 Cl3 Li N6 O Zr2
• Calculated formula: C52 H88 Cl3 Li N6 O Zr2
• Title of publication: Synthesis and structures of some heterometallic [(Li, Y)2, (M3, Ce) (M = Li or Na), (Li, Zr2) and (Li, Zr)4] oligomeric diamides derived from 1,2-bis(neopentylamino)benzene.
• Authors of publication: Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Wei, Xue-Hong; Zhou, Meisu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 24
• Pages of publication: 2991 - 2997
• a: 10.7426 ± 0.0006 Å
• b: 23.545 ± 0.002 Å
• c: 22.916 ± 0.002 Å
• α: 90°
• β: 93.723 ± 0.006°
• γ: 90°
• Cell volume: 5784 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1951
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No