Information card for entry 2236688

Structure parameters

• Chemical name: Bis[4-amino-3,5-bis(pyridin-2-yl)-4<i>H</i>-1,2,4-triazole- κ^2^<i>N</i>^1^,<i>N</i>^5^]diaquacobalt(II) bis(perchlorate)
• Formula: C24 H24 Cl2 Co N12 O10
• Calculated formula: C24 H24 Cl2 Co N12 O10
• SMILES: c12c3[n](nc(c4ccccn4)n3N)[Co]3([n]2cccc1)([OH2])([n]1c(c2[n]3nc(c3ccccn3)n2N)cccc1)[OH2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Bis[4-amino-3,5-bis(pyridin-2-yl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]diaquacobalt(II) bis(perchlorate)
• Authors of publication: Feng, Mi; Ji, Yu-Fei; Liang, Sheng-Li; Liu, Zhi-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1272 - m1273
• a: 8.5839 ± 0.0017 Å
• b: 12.95 ± 0.003 Å
• c: 14.975 ± 0.005 Å
• α: 90°
• β: 114.34 ± 0.02°
• γ: 90°
• Cell volume: 1516.7 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0574
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1213
• 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