Information card for entry 7023287

Structure parameters

• Formula: C28 H40 Al N3 O2
• Calculated formula: C28 H40 Al N3 O2
• SMILES: [Al]12(n3c(C[NH]1C(C)(C)C)ccc3C[NH]2C(C)(C)C)(Oc1ccc(cc1)C)Oc1ccc(cc1)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: 9.6058 ± 0.0017 Å
• b: 27.908 ± 0.005 Å
• c: 10.519 ± 0.002 Å
• α: 90°
• β: 104.168 ± 0.012°
• γ: 90°
• Cell volume: 2734.1 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1055
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No