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Information card for entry 7052153
Preview
| Coordinates | 7052153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3 |
|---|---|
| Formula | C34 H40 Cl8 Cu2 N8 |
| Calculated formula | C34 H40 Cl8 Cu2 N8 |
| SMILES | c1(C)[n]2[Cu](Cl)(Cl)[n]3ccn(Cc4ccc(Cn5c(C)[n](cc5)[Cu](Cl)(Cl)[n]5ccn(Cc6ccc(Cn1cc2)cc6)c5C)cc4)c3C.ClCCl.ClCCl |
| Title of publication | The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles |
| Authors of publication | Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2007 |
| Journal volume | 31 |
| Journal issue | 5 |
| Pages of publication | 669 |
| a | 8.598 ± 0.003 Å |
| b | 13.177 ± 0.004 Å |
| c | 18.105 ± 0.006 Å |
| α | 90° |
| β | 95.181 ± 0.006° |
| γ | 90° |
| Cell volume | 2042.8 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.12 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.1307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180075 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/21. |
7052153.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052153.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052153.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7052153.cif |
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Users of the data should acknowledge the original authors of the
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