Information card for entry 2023354

Structure parameters

• Chemical name: Hexakis(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II) bis(perchlorate)
• Formula: C54 H42 Cl2 N6 O14 Zn
• Calculated formula: C54 H42 Cl2 N6 O14 Zn
• 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: 12.8217 ± 0.0004 Å
• b: 12.8217 ± 0.0004 Å
• c: 26.5684 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3782.6 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No