Information card for entry 7023286

Structure parameters

• Formula: C21 H34 Al Cl N4
• Calculated formula: C21 H34 Al Cl N4
• SMILES: Cl[Al]12(n3c(C[NH]1C(C)(C)C)ccc3C[NH]2C(C)(C)C)N(c1ccccc1)C
• Title of publication: Aluminum complexes incorporating symmetrical and asymmetrical tridentate pincer type pyrrolyl ligands: synthesis, characterization and reactivity study.
• Authors of publication: Liu, Pei-Hsin; Chuang, Fu-Jung; Tu, Cheng-Yi; Hu, Ching-Han; Lin, Tzu-Wei; Wang, Yu-Tang; Lin, Chia-Her; Datta, Amitabha; Huang, Jui-Hsien
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13754 - 13764
• a: 11.5583 ± 0.0007 Å
• b: 11.9274 ± 0.0008 Å
• c: 18.6239 ± 0.0016 Å
• α: 98.218 ± 0.005°
• β: 104.901 ± 0.005°
• γ: 107.932 ± 0.004°
• Cell volume: 2290.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No