Information card for entry 7011989

Structure parameters

• Common name: [C6H4{CH2N(Li)C6H3iPr2}2]
• Formula: C64 H84 Li4 N4
• Calculated formula: C64 H84 Li4 N4
• SMILES: [Li]1[N]2(c3c(C(C)C)cccc3C(C)C)Cc3cc(ccc3)C[N](c3c(cccc3C(C)C)C(C)C)([Li]3)[Li][N]3(c3c(C(C)C)cccc3C(C)C)Cc3cc(ccc3)C[N]1(c1c(cccc1C(C)C)C(C)C)[Li]2
• Title of publication: Synthesis and structures of dinuclear low-coordinate lithium and zirconium(IV) complexes derived from the diamido ligands 1,3-(CH2C6H3R12)2C6H4(R1= Me or Pri)
• Authors of publication: Stéphane Daniele; Peter B. Hitchcock; Michael F. Lappert; Terence A. Nile; Colette M. Zdanski
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 3980 - 3984
• a: 21.045 ± 0.006 Å
• b: 15.874 ± 0.003 Å
• c: 18.651 ± 0.003 Å
• α: 90°
• β: 115.79 ± 0.02°
• γ: 90°
• Cell volume: 5610 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No