Information card for entry 2236000

Structure parameters

• Chemical name: Diaquabis(4-formylbenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)zinc
• Formula: C28 H26 N4 O10 Zn
• Calculated formula: C28 H26 N4 O10 Zn
• SMILES: C(=O)(c1ccc(cc1)C=O)O[Zn]([n]1cc(ccc1)C(=O)N)([n]1cc(ccc1)C(=O)N)(OC(=O)c1ccc(cc1)C=O)([OH2])[OH2]
• Title of publication: Diaquabis(4-formylbenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)zinc
• Authors of publication: Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1127 - m1128
• a: 7.7861 ± 0.0002 Å
• b: 9.7877 ± 0.0003 Å
• c: 9.9087 ± 0.0003 Å
• α: 77.851 ± 0.003°
• β: 71.462 ± 0.002°
• γ: 86.72 ± 0.003°
• Cell volume: 699.87 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0221
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes