Information card for entry 4089351

Structure parameters

• Common name: holjv62
• Formula: C30 H42 Al2 N4
• Calculated formula: C30 H42 Al2 N4
• SMILES: [Al]1(C)(N2Cc3cc(ccc3)CN3[Al](C)(C)[N](Cc4cc(ccc4)C[N]1=C(C=C2C)C)=C(C=C3C)C)C
• 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: 9.0065 ± 0.0004 Å
• b: 15.1913 ± 0.0007 Å
• c: 10.9765 ± 0.0005 Å
• α: 90°
• β: 107.887 ± 0.001°
• γ: 90°
• Cell volume: 1429.22 ± 0.11 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No