Information card for entry 2207268

Structure parameters

• Chemical name: Dibromobis(4-methoxypyridine N-oxide-κO)zinc(II)
• Formula: C12 H14 Br2 N2 O4 Zn
• Calculated formula: C12 H14 Br2 N2 O4 Zn
• SMILES: COc1ccn(=[O][Zn](Br)(Br)[O]=n2ccc(OC)cc2)cc1
• Title of publication: Dibromobis(4-methoxypyridine <i>N</i>-oxide-κ<i>O</i>)zinc(II)
• Authors of publication: Shi, Jing Min; Zhang, Feng Xia; Wu, Chang Ju; Liu, Lian Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2262 - m2263
• a: 7.1783 ± 0.0018 Å
• b: 8.501 ± 0.002 Å
• c: 14.108 ± 0.003 Å
• α: 78.294 ± 0.003°
• β: 76.293 ± 0.003°
• γ: 83.317 ± 0.004°
• Cell volume: 816.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes