Information card for entry 2203755

Structure parameters

• Chemical name: trans-bis[4-amino-3,5-bis(2-pyridyl)-4H-1,2,4-triazole- κ^2^N^1^,N^5^]bis(nitrato-κO)copper(II)
• Formula: C24 H20 Cu N14 O6
• Calculated formula: C24 H20 Cu N14 O6
• SMILES: c12c3[n](cccc3)[Cu]3([n]4c(c5[n]3nc(n5N)c3ccccn3)cccc4)([n]1nc(n2N)c1ccccn1)(ON(=O)=O)ON(=O)=O
• Title of publication: <i>trans</i>-Bis[4-amino-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]bis(nitrato-κ<i>O</i>)copper(II)
• Authors of publication: García-Couceiro, Urko; Castillo, Oscar; Luque, Antonio; Beobide, Garikoitz; Román, Pascual
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m720 - m722
• a: 6.94 ± 0.001 Å
• b: 9.319 ± 0.002 Å
• c: 10.765 ± 0.002 Å
• α: 99.36 ± 0.01°
• β: 94.86 ± 0.02°
• γ: 106.27 ± 0.02°
• Cell volume: 653.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes