Information card for entry 2217789

Structure parameters

• Chemical name: Bis(4-fluorobenzoato-κ^2^O,O')bis(nicotinamide-κN^1^)zinc(II) monohydrate
• Formula: C26 H22 F2 N4 O7 Zn
• Calculated formula: C26 H22 F2 N4 O7 Zn
• SMILES: [Zn]12(OC(=[O]1)c1ccc(F)cc1)(OC(=[O]2)c1ccc(F)cc1)([n]1ccc(cc1)C(=O)N)[n]1ccc(cc1)C(=O)N.O
• Title of publication: Bis(4-fluorobenzoato-κ^2^<i>O</i>,<i>O</i>')bis(nicotinamide-κ<i>N</i>^1^)zinc(II) monohydrate
• Authors of publication: Hökelek, Tuncer; Çaylak, Nagihan; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m460 - m461
• a: 8.2363 ± 0.0002 Å
• b: 12.3711 ± 0.0002 Å
• c: 14.8971 ± 0.0003 Å
• α: 113.178 ± 0.014°
• β: 99.015 ± 0.017°
• γ: 99.465 ± 0.016°
• Cell volume: 1334.7 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.073
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes