Information card for entry 4340421

Structure parameters

• Chemical name: Dibromo[bis(2-{pyrid-2-yl}ethyl)amine]zinc(II) (compound 2)
• Formula: C14 H17 Br2 N3 Zn
• Calculated formula: C14 H17 Br2 N3 Zn
• SMILES: [Zn]1(Br)(Br)[NH](CCc2[n]1cccc2)CCc1ncccc1
• Title of publication: An unusual zinc-promoted decomposition of a bis(2-{pyrid-2-yl}ethyl)amine derivative.
• Authors of publication: Mokuolu, Q. Folshade; Kilner, Colin A.; Barrett, Simon A.; McGowan, Patrick C.; Halcrow, Malcolm A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4136 - 4138
• a: 9.443 ± 0.0003 Å
• b: 11.7238 ± 0.0003 Å
• c: 15.1715 ± 0.0005 Å
• α: 90°
• β: 105.274 ± 0.0011°
• γ: 90°
• Cell volume: 1620.27 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No