Information card for entry 2005257

Structure parameters

• Chemical name: Diiodo-bis(nicotinamide-N^1^-acetato)zinc(II)
• Formula: C16 H16 I2 N4 O6 Zn
• Calculated formula: C16 H16 I2 N4 O6 Zn
• SMILES: I[Zn](OC(=O)C[n+]1cc(ccc1)C(=O)N)(I)OC(=O)C[n+]1cc(ccc1)C(=O)N
• Title of publication: Diiodobis(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: 8
• Pages of publication: 1917 - 1919
• a: 14.0585 ± 0.0009 Å
• b: 7.6504 ± 0.0004 Å
• c: 18.655 ± 0.001 Å
• α: 90°
• β: 93.599 ± 0.006°
• γ: 90°
• Cell volume: 2002.4 ± 0.2 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: 0.0221
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for all reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0531
• Goodness-of-fit parameter for all reflections: 1.113
• Goodness-of-fit parameter for significantly intense reflections: 1.126
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No