Information card for entry 2200685

Structure parameters

• Chemical name: Diaquabis(N,N-diethylnicotinamide)bis(2-hydroxybenzoato)zinc(II)
• Formula: C34 H42 N4 O10 Zn
• Calculated formula: C34 H42 N4 O10 Zn
• SMILES: c1ccc(c[n]1[Zn]([OH2])(OC(=O)c1c(O)cccc1)([n]1cccc(c1)C(=O)N(CC)CC)([OH2])OC(=O)c1c(O)cccc1)C(=O)N(CC)CC
• Title of publication: Diaquabis(<i>N,N</i>-diethylnicotinamide)bis(2-hydroxybenzoato)zinc(II)
• Authors of publication: Necefoglu, Hacali; Clegg, William; Scott, Andrew J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: m462 - m464
• a: 7.652 ± 0.007 Å
• b: 8.903 ± 0.006 Å
• c: 14.664 ± 0.016 Å
• α: 97.38 ± 0.08°
• β: 95.06 ± 0.07°
• γ: 114.22 ± 0.06°
• Cell volume: 892.5 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes