Information card for entry 2224512

Structure parameters

• Chemical name: Tetrakis[μ-4-(dimethylamino)benzoato- κ^2^<i>O</i>:<i>O</i>']bis[(<i>N</i>,<i>N</i>-diethylnicotinamide- κ<i>N</i>^1^)zinc(II)]
• Formula: C56 H68 N8 O10 Zn2
• Calculated formula: C56 H68 N8 O10 Zn2
• SMILES: C1(c2ccc(cc2)N(C)C)=[O][Zn]23([n]4cc(ccc4)C(=O)N(CC)CC)[O]=C(c4ccc(N(C)C)cc4)O[Zn]([n]4cc(ccc4)C(=O)N(CC)CC)([O]=C(O2)c2ccc(cc2)N(C)C)([O]=C(O3)c2ccc(N(C)C)cc2)O1
• Title of publication: Tetrakis[μ-4-(dimethylamino)benzoato-κ^2^<i>O</i>:<i>O</i>']bis[(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)zinc(II)]
• Authors of publication: Hökelek, Tuncer; Dal, Hakan; Tercan, Barış; Aybirdi, Özgür; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1582 - m1583
• a: 9.2731 ± 0.0006 Å
• b: 13.234 ± 0.0008 Å
• c: 13.4756 ± 0.0008 Å
• α: 112.348 ± 0.003°
• β: 109.236 ± 0.002°
• γ: 95.728 ± 0.002°
• Cell volume: 1395.33 ± 0.16 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes