Information card for entry 7051594

Structure parameters

• Formula: C20 H20 Al Cl2 N3
• Calculated formula: C20 H20 Al Cl2 N3
• SMILES: [Al]1(Cl)(Cl)[n]2n(c(cc2C)C)C=C(N1c1c(cccc1)C)c1ccccc1
• Title of publication: Synthesis and characterization of lithium, aluminium and zinc complexes supported by pyrazolyl-based N,N′-chelate ligands
• Authors of publication: Jin, Can; Wang, Zhong-Xia
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 659
• a: 8.6331 ± 0.0014 Å
• b: 16.006 ± 0.002 Å
• c: 15.3112 ± 0.0018 Å
• α: 90°
• β: 103.749 ± 0.002°
• γ: 90°
• Cell volume: 2055.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0759
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No