Information card for entry 2202365

Structure parameters

• Chemical name: [(S,S)-N-(1-{6-[1-(Dimethylamino)ethyl]pyridin-2-yl}ethyl)-N,N- dimethylamine-κ^3^N]dibromozinc(II)
• Formula: C13 H23 Br2 N3 Zn
• Calculated formula: C13 H23 Br2 N3 Zn
• SMILES: [Zn]12(Br)(Br)[N]([C@H](c3[n]1c(ccc3)[C@@H]([N]2(C)C)C)C)(C)C
• Title of publication: [(<i>S,S</i>)-<i>N</i>-(1-{6-[1-(Dimethylamino)ethyl]pyridin-2-yl}ethyl)-<i>N,N</i>-dimethylamine-κ^3^<i>N</i>]dibromozinc(II)
• Authors of publication: Panosyan, Francis B.; Lough, Alan J.; Chin, Jik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m827 - m829
• a: 9.968 ± 0.0002 Å
• b: 11.5077 ± 0.0002 Å
• c: 15.4906 ± 0.0004 Å
• α: 90°
• β: 103.712 ± 0.001°
• γ: 90°
• Cell volume: 1726.26 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes