Information card for entry 4089354

Structure parameters

• Common name: holjv63
• Formula: C40 H48 N6 Zn2
• Calculated formula: C40 H48 N6 Zn2
• SMILES: c1cccc[n]1[Zn]1(CC)N2Cc3cc(C[N]4=C(C=C(C)N(Cc5cc(C[N]1=C(C=C2C)C)ccc5)[Zn]4(CC)[n]1ccccc1)C)ccc3
• 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: 9.6439 ± 0.0015 Å
• b: 17.498 ± 0.003 Å
• c: 11.9596 ± 0.0019 Å
• α: 90°
• β: 113.408 ± 0.008°
• γ: 90°
• Cell volume: 1852.1 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No