Information card for entry 2215705

Structure parameters

• Chemical name: Diaquabis(N,N-diethylnicotinamide-κN)bis(4-fluorobenzoato-κO)zinc(II)
• Formula: C34 H40 F2 N4 O8 Zn
• Calculated formula: C34 H40 F2 N4 O8 Zn
• SMILES: C(=O)(c1ccc(F)cc1)O[Zn]([OH2])([n]1cccc(c1)C(=O)N(CC)CC)([n]1cccc(c1)C(=O)N(CC)CC)(OC(=O)c1ccc(F)cc1)[OH2]
• Title of publication: Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>)bis(4-fluorobenzoato-κ<i>O</i>)zinc(II)
• Authors of publication: Hökelek, Tuncer; Çaylak, Nagihan; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2561 - m2562
• a: 7.4261 ± 0.0002 Å
• b: 8.7188 ± 0.0003 Å
• c: 15.0798 ± 0.0004 Å
• α: 98.44 ± 0.02°
• β: 95.73 ± 0.02°
• γ: 112.94 ± 0.03°
• Cell volume: 876.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0708
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes