Information card for entry 2206429

Structure parameters

• Chemical name: Tetrakis(3,5-diphenyl-4-amino-4H-1,2,4-triazole-κN^1^)zinc(II) bis(perchlorate)
• Formula: C56 H48 Cl2 N16 O8 Zn
• Calculated formula: C56 H48 Cl2 N16 O8 Zn
• SMILES: [Zn]([n]1nc(n(N)c1c1ccccc1)c1ccccc1)([n]1nc(n(N)c1c1ccccc1)c1ccccc1)([n]1nc(n(N)c1c1ccccc1)c1ccccc1)[n]1nc(n(N)c1c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Tetrakis(3,5-diphenyl-4-amino-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^)zinc(II) bis(perchlorate)
• Authors of publication: Yuan-Yuan Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1486 - m1488
• a: 20.566 ± 0.005 Å
• b: 20.174 ± 0.005 Å
• c: 14.243 ± 0.003 Å
• α: 90°
• β: 108.614 ± 0.003°
• γ: 90°
• Cell volume: 5600 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1298
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes