Information card for entry 2200856

Structure parameters

• Chemical name: (μ-1,7,11,17-tetraoxa-2,6,12,16-tetraazacycloeicosane- κ^4^N^1^,N^17^:N^7^,N^11^)bis[dichlorozinc(II)]
• Formula: C12 H28 Cl4 N4 O4 Zn2
• Calculated formula: C12 H28 Cl4 N4 O4 Zn2
• SMILES: C1CO[NH]2[Zn](Cl)([NH](OCCCO[NH]3CCC[NH](OC1)[Zn]3(Cl)Cl)CCC2)Cl
• Title of publication: Rerefinement of (μ-1,7,11,17-tetraoxa-2,6,12,16-tetraazacycloeicosane-κ^4^<i>N</i>^1^,<i>N</i>^17^:<i>N</i>^7^,<i>N</i>^11^)bis[dichlorozinc(II)]
• Authors of publication: Kuksa, Vladimir A.; Wardell, Solange M. S. V; Lin, Paul Kong Thoo; Howie, R. Alan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m68 - m69
• a: 16.4925 ± 0.0004 Å
• b: 7.2697 ± 0.0002 Å
• c: 19.2129 ± 0.0006 Å
• α: 90°
• β: 109.412 ± 0.0018°
• γ: 90°
• Cell volume: 2172.59 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes