Information card for entry 2221702

Structure parameters

• Chemical name: Bis(4-amino-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole)diaquanickel(II) bis(perchlorate)
• Formula: C24 H24 Cl2 N12 Ni O10
• Calculated formula: C24 H24 Cl2 N12 Ni O10
• SMILES: c1cccc2c3[n](nc(c4ncccc4)n3N)[Ni]3([n]12)([OH2])([n]1ccccc1c1[n]3nc(c2ncccc2)n1N)[OH2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Bis(4-amino-3,5-di-2-pyridyl-4<i>H</i>-1,2,4-triazole)diaquanickel(II) bis(perchlorate)
• Authors of publication: Shao, Chun-Fu; Geng, Li-Chuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m511 - m512
• a: 9.9219 ± 0.0015 Å
• b: 14.359 ± 0.002 Å
• c: 10.922 ± 0.0018 Å
• α: 90°
• β: 100.56 ± 0.003°
• γ: 90°
• Cell volume: 1529.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes