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Information card for entry 2239510
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| Coordinates | 2239510.cif |
|---|---|
| Structure factors | 2239510.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis[μ~3~-2-(piperidin-1-yl)ethanolato]tetrakis[chloridocopper(II)] |
|---|---|
| Formula | C28 H56 Cl4 Cu4 N4 O4 |
| Calculated formula | C28 H56 Cl4 Cu4 N4 O4 |
| SMILES | [Cu]123(Cl)[N]4(CC[O]52[Cu]26(Cl)[N]7(CC[O]12[Cu]12(Cl)[N]8(CC[O]31[Cu]15(Cl)[N]3(CC[O]621)CCCCC3)CCCCC8)CCCCC7)CCCCC4 |
| Title of publication | Tetrakis[μ~3~-2-(piperidin-1-yl)ethanolato]tetrakis[chloridocopper(II)] |
| Authors of publication | Luo, Mei; Huang, Yong-Hua; Zhang, Jing-Cheng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | m194 |
| a | 13.9016 ± 0.0002 Å |
| b | 13.9016 ± 0.0002 Å |
| c | 38.834 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7504.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0728 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1786 |
| Weighted residual factors for all reflections included in the refinement | 0.1819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239510.cif 2239510.hkl |
| 181314 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/95. |
2239510.cif 2239510.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239510.cif 2239510.hkl |
| 112427 | 2014-05-01 | cif/ hkl/ Adding structures of 2239510 via cif-deposit CGI script. |
2239510.cif 2239510.hkl |
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Users of the data should acknowledge the original authors of the
structural data.