Information card for entry 7705558

Structure parameters

• Formula: C29 H50 Al2 N4
• Calculated formula: C29 H50 Al2 N4
• SMILES: [Al]1(N(c2c(cccc2C)C)CC[N]1(C)CCC[N]1([Al](N(CC1)c1c(cccc1C)C)(C)C)C)(C)C
• Title of publication: Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.
• Authors of publication: Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 13818 - 13828
• a: 31.9265 ± 0.0007 Å
• b: 7.4319 ± 0.0002 Å
• c: 13.1546 ± 0.0003 Å
• α: 90°
• β: 98.015 ± 0.002°
• γ: 90°
• Cell volume: 3090.76 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0564
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No