Information card for entry 2004789

Structure parameters

• Chemical name: Dichloro-bis(nicotinamide-N^1^-acetato)zinc(II)
• Formula: C16 H16 Cl2 N4 O6 Zn
• Calculated formula: C16 H16 Cl2 N4 O6 Zn
• SMILES: C(=O)(N)c1c[n+](CC(=O)O[Zn](Cl)(Cl)OC(=O)C[n+]2cc(ccc2)C(=O)N)ccc1
• Title of publication: Dichlorobis(nicotinamide-<i>N</i>^1^-acetate-<i>O</i>)zinc(II)
• Authors of publication: Zelenák, V.; Györyová, K.; Císarová, I.; Loub, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 808 - 810
• a: 13.718 ± 0.001 Å
• b: 7.4307 ± 0.0003 Å
• c: 18.4638 ± 0.0009 Å
• α: 90°
• β: 91.524 ± 0.005°
• γ: 90°
• Cell volume: 1881.43 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for all reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.0599
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes