Information card for entry 7006948

Structure parameters

• Formula: C80 H144 Cl12 Li4 N8 O4 Zr4
• Calculated formula: C80 H144 Cl12 Li4 N8 O4 Zr4
• SMILES: [Zr]1234([Cl]([Li]56[Cl]7[Zr]8([Cl]2)([Cl]3)([Cl][Li]27[Cl]3[Zr]79([Cl][Li]3([O](CC)CC)[O](CC)CC)([Cl][Zr]3([Cl]7)([Cl]52)([Cl]6)N(c2c(N3CC(C)(C)C)cccc2)CC(C)(C)C)N(c2c(N9CC(C)(C)C)cccc2)CC(C)(C)C)N(c2c(N8CC(C)(C)C)cccc2)CC(C)(C)C)[Li]([Cl]1)([O](CC)CC)[O](CC)CC)N(c1c(N4CC(C)(C)C)cccc1)CC(C)(C)C
• 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: 10.2596 ± 0.0004 Å
• b: 15.3225 ± 0.0008 Å
• c: 18.3381 ± 0.001 Å
• α: 70.809 ± 0.002°
• β: 79.492 ± 0.003°
• γ: 78.819 ± 0.003°
• Cell volume: 2648.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No