Information card for entry 2219173

Structure parameters

• Chemical name: Dibromido[<i>N</i>-propyl-<i>N</i>'-(2-pyridylmethylidene)ethane-1,2- diamine]zinc(II)
• Formula: C11 H17 Br2 N3 Zn
• Calculated formula: C11 H17 Br2 N3 Zn
• SMILES: [Zn]12(Br)(Br)[n]3c(cccc3)C=[N]1CC[NH]2CCC
• Title of publication: Dibromido[<i>N</i>-propyl-<i>N</i>'-(2-pyridylmethylidene)ethane-1,2-diamine]zinc(II)
• Authors of publication: Zhu, Xue-Wen; Yang, Xu-Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1094 - m1095
• a: 8.252 ± 0.004 Å
• b: 12.249 ± 0.005 Å
• c: 14.726 ± 0.006 Å
• α: 90°
• β: 94.562 ± 0.007°
• γ: 90°
• Cell volume: 1483.8 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes