Information card for entry 2225728

Structure parameters

• Chemical name: Tetrakis(μ-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>- diethylnicotinamide-κ<i>N</i>^1^)zinc(II)]
• Formula: C52 H56 N4 O10 Zn2
• Calculated formula: C52 H56 N4 O10 Zn2
• SMILES: C1(c2ccc(cc2)C)=[O][Zn]23([O]=C(c4ccc(cc4)C)O[Zn]([n]4cccc(c4)C(=O)N(CC)CC)(O1)([O]=C(c1ccc(cc1)C)O2)[O]=C(O3)c1ccc(cc1)C)[n]1cccc(c1)C(=O)N(CC)CC
• Title of publication: Tetrakis(μ-4-methylbenzoato-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: Necefoğlu, Hacali; Çimen, Efdal; Tercan, Barış; Dal, Hakan; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m485 - m486
• a: 9.8603 ± 0.0002 Å
• b: 10.5272 ± 0.0002 Å
• c: 12.3514 ± 0.0003 Å
• α: 97.346 ± 0.003°
• β: 93.525 ± 0.003°
• γ: 106.342 ± 0.005°
• Cell volume: 1213.78 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0274
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes