Information card for entry 2212140

Structure parameters

• Chemical name: Tetrakis(1H-imidazole-κN^3^)zinc(II) bis(2-hydroxy-3,5-dinitrobenzoate)
• Formula: C26 H22 N12 O14 Zn
• Calculated formula: C26 H22 N12 O14 Zn
• SMILES: c1c[nH]c[n]1[Zn]([n]1c[nH]cc1)([n]1cc[nH]c1)[n]1c[nH]cc1.c1(cc(N(=O)=O)c(O)c(c1)C(=O)[O-])N(=O)=O.c1(cc(N(=O)=O)c(O)c(c1)C(=O)[O-])N(=O)=O
• Title of publication: Tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II) bis(2-hydroxy-3,5-dinitrobenzoate)
• Authors of publication: Fu Huang; Wen-Dong Song; Si-Dong Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m388 - m389
• a: 25.0809 ± 0.0015 Å
• b: 6.7251 ± 0.0004 Å
• c: 18.9145 ± 0.001 Å
• α: 90°
• β: 97.658 ± 0.006°
• γ: 90°
• Cell volume: 3161.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes