Information card for entry 2023353

Structure parameters

• Chemical name: Diiodidobis(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II)
• Formula: C18 H14 I2 N2 O2 Zn
• Calculated formula: C18 H14 I2 N2 O2 Zn
• SMILES: I[Zn](I)([O]=n1cc2c(cc1)cccc2)[O]=n1ccc2c(cccc2)c1
• 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: 7.7325 ± 0.0003 Å
• b: 8.9596 ± 0.0004 Å
• c: 14.8297 ± 0.0009 Å
• α: 93.205 ± 0.004°
• β: 99.873 ± 0.004°
• γ: 104.852 ± 0.004°
• Cell volume: 972.98 ± 0.09 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0248
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No