Information card for entry 2226883

Structure parameters

• Chemical name: Dichloridobis(isoquinoline-κ<i>N</i>)zinc(II)
• Formula: C18 H14 Cl2 N2 Zn
• Calculated formula: C18 H14 Cl2 N2 Zn
• SMILES: [Zn](Cl)(Cl)([n]1cc2ccccc2cc1)[n]1cc2ccccc2cc1
• Title of publication: Dichloridobis(isoquinoline-κ<i>N</i>)zinc(II)
• Authors of publication: Li, Meng-Jiao; Nie, Jing-Jing; Xu, Duan-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m876
• a: 7.8956 ± 0.0015 Å
• b: 13.363 ± 0.002 Å
• c: 15.677 ± 0.002 Å
• α: 90°
• β: 90.22 ± 0.008°
• γ: 90°
• Cell volume: 1654.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes