Information card for entry 2023351

Structure parameters

• Chemical name: Dichloridobis(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II)
• Formula: C18 H14 Cl2 N2 O2 Zn
• Calculated formula: C18 H14 Cl2 N2 O2 Zn
• SMILES: [Zn](Cl)(Cl)([O]=n1ccc2c(cccc2)c1)[O]=n1cc2c(cccc2)cc1
• Title of publication: Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide
• Authors of publication: Groneck, Erin N.; Peek, Nathan; Lynch, Will E.; Padgett, Clifford W.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 2
• a: 7.5164 ± 0.0005 Å
• b: 7.8002 ± 0.0005 Å
• c: 15.1156 ± 0.001 Å
• α: 96.172 ± 0.006°
• β: 92.052 ± 0.005°
• γ: 96.284 ± 0.005°
• Cell volume: 874.77 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No