Information card for entry 7023285

Structure parameters

• Formula: C19 H30 Al Cl N4
• Calculated formula: C19 H30 Al Cl N4
• SMILES: [Al]12(Cl)(n3c(C[NH]1C(C)(C)C)ccc3C[N]2(C)C)N(C)c1ccccc1
• 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: 8.8099 ± 0.0005 Å
• b: 9.5732 ± 0.0005 Å
• c: 12.5602 ± 0.0007 Å
• α: 87.19 ± 0.004°
• β: 86.082 ± 0.004°
• γ: 76.421 ± 0.003°
• Cell volume: 1026.7 ± 0.1 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: 0.0767
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No