Information card for entry 2231677

Structure parameters

• Chemical name: Bis[2-(2-aminoethylamino)ethanol]copper(II) dinitrate
• Formula: C8 H24 Cu N6 O8
• Calculated formula: C8 H24 Cu N6 O8
• SMILES: C1[NH]2CC[OH][Cu]342([NH](CC[NH2]3)CC[OH]4)[NH2]C1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Bis[2-(2-aminoethylamino)ethanol]copper(II) dinitrate
• Authors of publication: Azadbakht, Reza; Amiri Rudbari, Hadi; Bruno, Giuseppe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1203
• a: 14.664 ± 0.0001 Å
• b: 14.664 ± 0.0001 Å
• c: 29.8298 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6414.39 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes