Information card for entry 2203069

Structure parameters

• Chemical name: Bis(μ-1,2,4-triazole-κ^2^N^1^:N^2^)bis[aqua(oxalato-κ^2^O,O')copper(II)]
• Formula: C8 H14 Cu2 N6 O12
• Calculated formula: C8 H14 Cu2 N6 O12
• SMILES: C1(=O)O[Cu]2([n]3c[nH]c[n]3[Cu]3([n]4c[nH]c[n]24)(OC(=O)C(=O)O3)([OH2])[OH2])(OC1=O)([OH2])[OH2]
• Title of publication: Bis(μ-1,2,4-triazole-κ^2^<i>N</i>^1^:<i>N</i>^2^)bis[diaqua(oxalato-κ^2^<i>O,O</i>')copper(II)]
• Authors of publication: Castillo, Oscar; García-Couceiro, Urko; Luque, Antonio; García-Terán, Juan P.; Román, Pascual
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m9 - m11
• a: 16.596 ± 0.001 Å
• b: 16.596 ± 0.001 Å
• c: 11.996 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3304 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes