Information card for entry 4089350

Structure parameters

• Common name: holjv64
• Formula: C42 H62 Li2 N4 O4
• Calculated formula: C42 H62 Li2 N4 O4
• Title of publication: Macrocyclic Binucleating β-Diketiminate Ligands and their Lithium, Aluminum, and Zinc Complexes.
• Authors of publication: Vela, Javier; Zhu, Liwei; Flaschenriem, Christine J.; Brennessel, William W.; Lachicotte, Rene J.; Holland, Patrick L.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3416 - 3423
• a: 17.9985 ± 0.0016 Å
• b: 20.5761 ± 0.0018 Å
• c: 22.744 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8423 ± 1.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1971
• Residual factor for significantly intense reflections: 0.1459
• Weighted residual factors for significantly intense reflections: 0.4443
• Weighted residual factors for all reflections included in the refinement: 0.4922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.794
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No