Information card for entry 2005564

Structure parameters

• Chemical name: catena-((μ~2~-succinato)(diethylenetriamine)copper(II))
• Formula: C8 H17 Cu N3 O4
• Calculated formula: C8 H17 Cu N3 O4
• SMILES: [Cu]12(OC(=O)CCC(=O)O[Cu]34(OC(=O)CCC(=O)[O-])[NH2]CC[NH]4CC[NH2]3)[NH2]CC[NH]1CC[NH2]2
• Title of publication: <i>catena</i>-Poly[[(diethylenetriamine-<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)]-μ-succinato-<i>O</i>,<i>O</i>':<i>O</i>'']
• Authors of publication: Pajunen, A.; Pajunen, S.; Kivikoski, J.; Valkonen, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2689 - 2691
• a: 8.021 ± 0.002 Å
• b: 16.864 ± 0.003 Å
• c: 8.311 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1124.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for all reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.0685
• Goodness-of-fit parameter for all reflections: 1.163
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No