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Information card for entry 2240082
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| Coordinates | 2240082.cif |
|---|---|
| Structure factors | 2240082.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[(2-hydroxyethyl)amino]ethanol-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}copper(II) terephthalate |
|---|---|
| Formula | C16 H26 Cu N2 O8 |
| Calculated formula | C16 H26 Cu N2 O8 |
| SMILES | C(=O)(c1ccc(C(=O)[O-])cc1)[O-].C1[OH][Cu]234([NH](C1)CC[OH]3)[NH](CC[OH]2)CC[OH]4 |
| Title of publication | Crystal structure of bis{2-[(2-hydroxyethyl)amino]ethanol-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}copper(II) terephthalate |
| Authors of publication | Li, Ya-Ping; Sun, Dajun; Ming, Julia; Han, Liying; Su, Guan-Fang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | m372 - m373 |
| a | 8.6013 ± 0.0009 Å |
| b | 9.0398 ± 0.0009 Å |
| c | 11.5732 ± 0.0012 Å |
| α | 90° |
| β | 91.695 ± 0.002° |
| γ | 90° |
| Cell volume | 899.47 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0327 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0786 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240082.cif 2240082.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240082.cif 2240082.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240082.cif 2240082.hkl |
| 125549 | 2014-10-19 | cif/ hkl/ Adding structures of 2240082 via cif-deposit CGI script. |
2240082.cif 2240082.hkl |
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Users of the data should acknowledge the original authors of the
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