Information card for entry 2244112

Structure parameters

• Chemical name: Dibromidobis(quinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II)
• Formula: C18 H14 Br2 N2 O2 Zn
• Calculated formula: C18 H14 Br2 N2 O2 Zn
• SMILES: [Zn](Br)(Br)([O]=n1c2c(ccc1)cccc2)[O]=n1c2c(ccc1)cccc2
• Title of publication: Crystal structures of three zinc(II) halide coordination complexes with quinoline <i>N</i>-oxide
• Authors of publication: Padgett, Clifford W.; Lynch, Will E.; Groneck, Erin N.; Raymundo, Melina; Adams, Desiree
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 7
• a: 16.3922 ± 0.0011 Å
• b: 7.3527 ± 0.0006 Å
• c: 15.5809 ± 0.001 Å
• α: 90°
• β: 97.113 ± 0.006°
• γ: 90°
• Cell volume: 1863.5 ± 0.2 ų
• Cell temperature: 297.8 ± 0.3 K
• Ambient diffraction temperature: 297.8 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes