Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7052158
Preview
| Coordinates | 7052158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 8 |
|---|---|
| Formula | C38 H48 Cl4 Cu2 N8 O3 |
| Calculated formula | C38 H48 Cl4 Cu2 N8 O3 |
| SMILES | c1cn2c(C)[n]1[Cu](Cl)(Cl)[n]1ccn(Cc3ccc(Cn4cc[n](c4C)[Cu](Cl)(Cl)[n]4ccn(Cc5ccc(C2)cc5)c4C)cc3)c1C.O1CCOCC1.C1COCCO1 |
| 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 | 8.6006 ± 0.0017 Å |
| b | 13.126 ± 0.003 Å |
| c | 17.942 ± 0.004 Å |
| α | 87.547 ± 0.004° |
| β | 87.705 ± 0.004° |
| γ | 81.627 ± 0.004° |
| Cell volume | 2000.9 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1327 |
| Residual factor for significantly intense reflections | 0.0879 |
| Weighted residual factors for significantly intense reflections | 0.1568 |
| Weighted residual factors for all reflections included in the refinement | 0.1733 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212110 (current) | 2018-11-22 | cif/7 Fixing some Z values and formulae |
7052158.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7052158.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052158.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052158.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. |
7052158.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.