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Information card for entry 7011487
Preview
| Coordinates | 7011487.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H23 Cl2 Cu N5 O8 |
|---|---|
| Calculated formula | C17 H23 Cl2 Cu N5 O8 |
| SMILES | [Cu]1234[n]5c6cccc5c5[n]1c(ccc5)C[NH]2CC[N]3(C)CC[NH]4C6.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | A new dipyridine-containing cryptand for both proton and Cu(ii) encapsulation. A solution and solid state study |
| Authors of publication | Bazzicalupi, Carla; Bellusci, Anna; Bencini, Andrea; Berni, Emanuela; Bianchi, Antonio; Ciattini, Samuele; Giorgi, Claudia; Valtancoli, Barbara |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 10 |
| Pages of publication | 2151 |
| a | 12.157 ± 0.001 Å |
| b | 8.821 ± 0.001 Å |
| c | 20.685 ± 0.003 Å |
| α | 90° |
| β | 100.973 ± 0.009° |
| γ | 90° |
| Cell volume | 2177.6 ± 0.4 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| 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 | 0.0773 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for significantly intense reflections | 0.1885 |
| Weighted residual factors for all reflections included in the refinement | 0.2012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011487.cif |
| 179818 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/14. |
7011487.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011487.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011487.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011487.cif |
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