Information card for entry 7052464

Structure parameters

• Common name: [Li{N(2,6-iPr2C6H3)C(H)N(2,6-iPr2C6H3)}(PMDETA)]
• Formula: C34 H58 Li N5
• Calculated formula: C34 H58 Li N5
• SMILES: N1(c2c(cccc2C(C)C)C(C)C)C=[N](c2c(cccc2C(C)C)C(C)C)[Li]231[N](C)(C)CC[N]3(C)CC[N]2(C)C
• Title of publication: Bulky formamidinate complexes of lithium: the first examples of η2:η1-CN,N′ metal amidinate coordination
• Authors of publication: Cole, Marcus L.; Davies, Aaron J.; Jones, Cameron; Junk, Peter C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 1404
• a: 11.7197 ± 0.0002 Å
• b: 16.5509 ± 0.0002 Å
• c: 17.5383 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3401.93 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No