Information card for entry 2020782

Structure parameters

• Chemical name: <i>catena</i>-poly[[[(<i>N</i>,<i>N</i>'-diethylethylenediamine-\ κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-succinato-\ κ^2^<i>O</i>^1^:<i>O</i>^4^] tetrahydrate]
• Formula: C10 H28 Cu N2 O8
• Calculated formula: C10 H28 Cu N2 O8
• SMILES: [Cu]1(OC(=O)CCC(=O)[O-])([N](CC)(CC[NH2]1)CC)OC(=O)CCC(=O)O[Cu]1[N](CC)(CC[NH2]1)CC.O.O.O.O.O.O.O.O
• Title of publication: A one-dimensional copper(II) coordination polymer incorporating succinate and <i>N</i>,<i>N</i>-diethylethylenediamine ligands: crystallographic analysis, vibrational and surface features, and DFT analysis
• Authors of publication: Şen, Fatih; Kansiz, Sevgi; Uçar, İbrahim
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 517 - 524
• a: 15.7523 ± 0.0008 Å
• b: 7.1201 ± 0.0003 Å
• c: 15.954 ± 0.0008 Å
• α: 90°
• β: 112.709 ± 0.004°
• γ: 90°
• Cell volume: 1650.65 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes