Information card for entry 2224082

Structure parameters

• Chemical name: Bis(isonicotinamide-κ<i>N</i>^1^)bis[4-(methylamino)benzoato]zinc(II) monohydrate
• Formula: C28 H30 N6 O7 Zn
• Calculated formula: C28 H30 N6 O7 Zn
• SMILES: [Zn]1([O]=C(O1)c1ccc(NC)cc1)(OC(=O)c1ccc(NC)cc1)([n]1ccc(cc1)C(=O)N)[n]1ccc(cc1)C(=O)N.O
• Title of publication: Bis(isonicotinamide-κ<i>N</i>^1^)bis[4-(methylamino)benzoato]zinc(II) monohydrate
• Authors of publication: Hökelek, Tuncer; Dal, Hakan; Tercan, Barış; Aybirdi, Özgür; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1365 - m1366
• a: 8.1323 ± 0.0008 Å
• b: 13.2098 ± 0.0012 Å
• c: 27.219 ± 0.003 Å
• α: 90°
• β: 96.949 ± 0.006°
• γ: 90°
• Cell volume: 2902.6 ± 0.5 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: 0.0671
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes