Information card for entry 2240646

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-1,4-bis[4-(1<i>H</i>-imidazol-1-yl)benzoyl]piperazine] dinitrate monohydrate]
• Formula: C24 H34 N8 O14 Zn
• Calculated formula: C24 H34 N8 O14 Zn
• SMILES: [Zn]([OH2])([OH2])([OH2])([OH2])([n]1cn(cc1)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c2ccc(cc2)n3c[n](cc3)[Zn]([OH2])([OH2])([OH2])[OH2])[n]1cn(cc1)c1ccc(cc1)C(=O)N1CCN(C(=O)c2ccc(n3cncc3)cc2)CC1.O=N(=O)[O-].O.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O.O.O
• Title of publication: Crystal structure of <i>catena</i>-poly[[[tetraaquazinc(II)]-μ-1,4-bis[4-(1<i>H</i>-imidazol-1-yl)benzoyl]piperazine] dinitrate monohydrate]
• Authors of publication: Hou, Chen; Gan, Hong-Mei; Liu, Jia-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: m120 - m121
• a: 22.051 ± 0.004 Å
• b: 7.8861 ± 0.0016 Å
• c: 17.837 ± 0.004 Å
• α: 90°
• β: 102.65 ± 0.03°
• γ: 90°
• Cell volume: 3026.5 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes