Information card for entry 2200938

Structure parameters

• Formula: C48 H48 N4 O10 Zn2
• Calculated formula: C48 H48 N4 O10 Zn2
• SMILES: c1ccc(c[n]1[Zn]123[O]=C(O[Zn]([O]=C(O1)c1ccccc1)([n]1cccc(c1)C(=O)N(CC)CC)(OC(=[O]2)c1ccccc1)[O]=C(O3)c1ccccc1)c1ccccc1)C(=O)N(CC)CC
• Title of publication: Tetrakis(μ-benzoato)bis[(<i>N,N</i>-diethylnicotinamide)zinc(II)]
• Authors of publication: Necefoglu, Hacali; Clegg, William; Scott, Andrew J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: m121 - m122
• a: 19.568 ± 0.0019 Å
• b: 10.6989 ± 0.001 Å
• c: 21.617 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4525.7 ± 0.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes