Information card for entry 2220643

Structure parameters

• Chemical name: Bis[4-(methylamino)benzoato-κ<i>O</i>]bis(nicotinamide-κ<i>N</i>)zinc(II)
• Formula: C28 H28 N6 O6 Zn
• Calculated formula: C28 H28 N6 O6 Zn
• SMILES: [Zn](OC(=O)c1ccc(NC)cc1)(OC(=O)c1ccc(NC)cc1)([n]1cc(ccc1)C(=O)N)[n]1cc(ccc1)C(=O)N
• Title of publication: Bis[4-(methylamino)benzoato-κ<i>O</i>]bis(nicotinamide-κ<i>N</i>)zinc(II)
• Authors of publication: Tercan, Barış; Hökelek, Tuncer; Aybirdi, Özgür; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m109 - m110
• a: 8.085 ± 0.004 Å
• b: 16.036 ± 0.007 Å
• c: 21.333 ± 0.004 Å
• α: 90°
• β: 95.78 ± 0.03°
• γ: 90°
• Cell volume: 2751.8 ± 1.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1422
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes