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Information card for entry 7005819
Preview
| Coordinates | 7005819.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cu(PETAEA)CuCl, Compound 1 |
|---|---|
| Formula | C23 H27 Cl Cu2 N4 O2 S |
| Calculated formula | C23 H27 Cl Cu2 N4 O2 S |
| SMILES | [Cu]1234[Cu](Cl)[N]4(S(=O)(=O)c4ccc(cc4)C)CC[N]2(CCc2[n]1cccc2)CCc1[n]3cccc1 |
| Title of publication | Asymmetric dinuclear copper(I) complexes of bis-(2-(2-pyridyl)ethyl)-2-(N-toluenesulfonylamino)ethylamine with short copper-copper distances. |
| Authors of publication | Goodwin, Jocelyn M.; Chiang, Pin-Chieh; Brynda, Marcin; Penkina, Katerina; Olmstead, Marilyn M.; Patten, Timothy E. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 28 |
| Pages of publication | 3086 - 3092 |
| a | 9.1111 ± 0.0006 Å |
| b | 10.8627 ± 0.0007 Å |
| c | 13.4127 ± 0.0009 Å |
| α | 68.776 ± 0.003° |
| β | 84.102 ± 0.003° |
| γ | 87.524 ± 0.003° |
| Cell volume | 1230.85 ± 0.14 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0307 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.0599 |
| Weighted residual factors for all reflections included in the refinement | 0.0646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179762 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/58. |
7005819.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005819.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005819.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005819.cif |
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