Information card for entry 2015848

Structure parameters

• Chemical name: catena-Poly[[copper(II)-μ-2-[bis(2-pyridylmethyl)amino]butyrato- κ^4^N,N',N'',O:κO'] perchlorate]
• Formula: C16 H18 Cl Cu N3 O6
• Calculated formula: C16 H18 Cl Cu N3 O6
• SMILES: [Cu]123([n]4ccccc4C[N]1(Cc1[n]2cccc1)[C@@H](C(=O)O3)CC)[O]=C1O[Cu]23[n]4ccccc4C[N]2(Cc2[n]3cccc2)[C@@H]1CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[Cu]123([n]4ccccc4C[N]1(Cc1[n]2cccc1)[C@H](C(=O)O3)CC)[O]=C1O[Cu]23[n]4ccccc4C[N]2(Cc2[n]3cccc2)[C@H]1CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[copper(II)-μ-2-[bis(2-pyridylmethyl)amino]butyrato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>:κ<i>O</i>'] perchlorate]
• Authors of publication: Choi, Ki-Young; Choi, Seung-Chul; Ko, Jaejung; Kang, Sang Ook; Han, Won-Sik
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m85 - m87
• a: 14.0597 ± 0.0011 Å
• b: 9.4711 ± 0.0007 Å
• c: 14.5223 ± 0.0012 Å
• α: 90°
• β: 106.626 ± 0.001°
• γ: 90°
• Cell volume: 1853 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes