Information card for entry 7705560

Structure parameters

• Formula: C26 H40 Mg N4
• Calculated formula: C26 H40 Mg N4
• SMILES: [Mg]123[N](CCN1c1ccccc1CCc1ccccc1N2CC[N]3(CC)CC)(CC)CC
• 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: 18.2567 ± 0.0003 Å
• b: 11.3141 ± 0.0002 Å
• c: 11.7597 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2429.06 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No