Information card for entry 7705556

Structure parameters

• Formula: C36 H72 N6 O Si4 Sn2
• Calculated formula: C36 H72 N6 O Si4 Sn2
• SMILES: [Sn]1([N](CCN1c1ccccc1Oc1ccccc1N1[Sn]([N](CC1)(CC)CC)N([Si](C)(C)C)[Si](C)(C)C)(CC)CC)N([Si](C)(C)C)[Si](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: 13.8445 ± 0.0002 Å
• b: 17.9944 ± 0.0002 Å
• c: 18.8137 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4686.93 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0183
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.39222 Å
• Diffraction radiation type: CuKβ
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No