Information card for entry 2229522

Structure parameters

• Chemical name: Bis(4-ethylbenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)zinc(II)
• Formula: C30 H30 N4 O6 Zn
• Calculated formula: C30 H30 N4 O6 Zn
• SMILES: [Zn](OC(=O)c1ccc(cc1)CC)(OC(=O)c1ccc(cc1)CC)([n]1cccc(c1)C(=O)N)[n]1cccc(c1)C(=O)N
• Title of publication: Bis(4-ethylbenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)zinc(II)
• Authors of publication: Necefoğlu, Hacali; Özbek, Füreya Elif; Aktaş, Vedat; Tercan, Barış; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m382 - m383
• a: 8.0601 ± 0.0002 Å
• b: 15.9736 ± 0.0003 Å
• c: 21.2568 ± 0.0003 Å
• α: 90°
• β: 94.384 ± 0.003°
• γ: 90°
• Cell volume: 2728.78 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes