Information card for entry 2224511

Structure parameters

• Chemical name: Bis(μ-2-fluorobenzoato-1:2κ^2^<i>O</i>:<i>O</i>')(2-fluorobenzoato- 1κ^2^<i>O</i>,<i>O</i>')(2-fluorobenzoato-2κ<i>O</i>)dinicotinamide- 1κ<i>N</i>^1^,2κ<i>N</i>^1^-dizinc(II)‒2-fluorobenzoic acid (1/1)
• Formula: C47 H33 F5 N4 O12 Zn2
• Calculated formula: C47 H33 F5 N4 O12 Zn2
• Title of publication: Bis(μ-2-fluorobenzoato-1:2κ^2^<i>O</i>:<i>O</i>')(2-fluorobenzoato-1κ^2^<i>O</i>,<i>O</i>')(2-fluorobenzoato-2κ<i>O</i>)dinicotinamide-1κ<i>N</i>^1^,2κ<i>N</i>^1^-dizinc(II)‒2-fluorobenzoic acid (1/1)
• Authors of publication: Hökelek, Tuncer; Yılmaz, Filiz; Tercan, Barış; Özbek, F. Elif; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1608 - m1609
• a: 12.5143 ± 0.0002 Å
• b: 16.7106 ± 0.0003 Å
• c: 20.6673 ± 0.0004 Å
• α: 90°
• β: 92.929 ± 0.002°
• γ: 90°
• Cell volume: 4316.33 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes