Information card for entry 2226912

Structure parameters

• Chemical name: Dibromido(2,3,5,6-tetra-2-pyridylpyrazine- κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)zinc(II)
• Formula: C24 H16 Br2 N6 Zn
• Calculated formula: C24 H16 Br2 N6 Zn
• SMILES: [Zn]12(Br)(Br)[n]3c(c4[n]1c(c(nc4c1ncccc1)c1ncccc1)c1[n]2cccc1)cccc3
• Title of publication: Dibromido(2,3,5,6-tetra-2-pyridylpyrazine-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^)zinc(II)
• Authors of publication: Ahmadi, Roya; Kalateh, Khadijeh; Amani, Vahid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m959 - m960
• a: 10.3985 ± 0.0008 Å
• b: 10.5378 ± 0.0008 Å
• c: 12.3034 ± 0.001 Å
• α: 64.898 ± 0.006°
• β: 83.187 ± 0.006°
• γ: 77.901 ± 0.006°
• Cell volume: 1193.05 ± 0.17 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: 0.0719
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes