Information card for entry 7705559

Structure parameters

• Formula: C26 H40 N4 Zn
• Calculated formula: C26 H40 N4 Zn
• SMILES: [Zn]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: 17.1511 ± 0.0001 Å
• b: 21.9866 ± 0.0002 Å
• c: 12.9305 ± 0.0001 Å
• α: 90°
• β: 91.116 ± 0.001°
• γ: 90°
• Cell volume: 4875.09 ± 0.06 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: 0.0328
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.39222 Å
• Diffraction radiation type: CuKβ
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No