Information card for entry 2208560

Structure parameters

• Chemical name: Dibromo[N,N-dimethyl-N'-(2-pyridylmethylidene)propane-1,3-diamine]zinc(II)
• Formula: C11 H17 Br2 N3 Zn
• Calculated formula: C11 H17 Br2 N3 Zn
• SMILES: [Zn]12(Br)(Br)[n]3ccccc3C=[N]1CCC[N]2(C)C
• Title of publication: Dibromo[<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-(2-pyridylmethylidene)propane-1,3-diamine]zinc(II)
• Authors of publication: Yu-Liang Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m902 - m903
• a: 7.602 ± 0.001 Å
• b: 9.15 ± 0.002 Å
• c: 11.901 ± 0.002 Å
• α: 97.82 ± 0.03°
• β: 103.3 ± 0.03°
• γ: 112.25 ± 0.02°
• Cell volume: 722.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes