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Information card for entry 7052155
Preview
| Coordinates | 7052155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5 |
|---|---|
| Formula | C36 H48 Cl4 Cu2 N8 O2 S2 |
| Calculated formula | C36 H48 Cl4 Cu2 N8 O2 S2 |
| SMILES | c1(C)[n]2ccn1Cc1ccc(cc1)Cn1c(C)[n](cc1)[Cu]([n]1c(C)n(cc1)Cc1ccc(cc1)Cn1c(C)[n]([Cu]2(Cl)(Cl)[O]=S(C)C)cc1)(Cl)(Cl)[O]=S(C)C |
| 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 | 8.8822 ± 0.0014 Å |
| b | 13.05 ± 0.002 Å |
| c | 17.792 ± 0.003 Å |
| α | 90° |
| β | 95.486 ± 0.003° |
| γ | 90° |
| Cell volume | 2052.9 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0757 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.1161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
7052155.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052155.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052155.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. |
7052155.cif |
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