Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015891
Preview
| Coordinates | 7015891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H44 Cl Cu2 I9 N8 O2 |
|---|---|
| Calculated formula | C40 H44 Cl Cu2 I9 N8 O2 |
| SMILES | [OH2][Cu]([Cl][Cu]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.O.I[I-]I.I[I-]I.I[I-]I |
| Title of publication | Mechanochemical synthesis in copper(II) halide/pyridine systems: single crystal X-ray diffraction and IR spectroscopic studies. |
| Authors of publication | Bowmaker, Graham A.; Di Nicola, Corrado; Pettinari, Claudio; Skelton, Brian W.; Somers, Neil; White, Allan H. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 18 |
| Pages of publication | 5102 - 5115 |
| a | 26.1124 ± 0.0003 Å |
| b | 28.8852 ± 0.0004 Å |
| c | 29.5107 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 22258.8 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d :2 |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0561 |
| Weighted residual factors for all reflections included in the refinement | 0.0648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.897 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179862 (current) | 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 7/01/58. |
7015891.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015891.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015891.cif |
| 21376 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015891, 7015892, 7015893, 7015894, 7015895, 7015896, 7015897, 7015898, 7015899, 7015900, 7015901, 7015902, 7015903, 7015904, 7015905, 7015906, 7015907 via cif-deposit CGI script. |
7015891.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.