Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7052795
Preview
| Coordinates | 7052795.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(methyltriphenylphosphonium)tetrabromocuprate(II) |
|---|---|
| Formula | C38 H36 Br4 Cu P2 |
| Calculated formula | C38 H36 Br4 Cu P2 |
| SMILES | c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)C.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)C.Br[Cu](Br)([Br-])[Br-] |
| Title of publication | Tetrahalidocuprates(ii)—structure and EPR spectroscopy. Part 1: Tetrabromidocuprates(ii) |
| Authors of publication | Farra, Ramzi; Thiel, Kerstin; Winter, Alette; Klamroth, Tillmann; Pöppl, Andreas; Kelling, Alexandra; Schilde, Uwe; Taubert, Andreas; Strauch, Peter |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 12 |
| Pages of publication | 2793 |
| a | 8.9966 ± 0.0011 Å |
| b | 24.702 ± 0.003 Å |
| c | 17.481 ± 0.002 Å |
| α | 90° |
| β | 101.553 ± 0.01° |
| γ | 90° |
| Cell volume | 3806.2 ± 0.8 Å3 |
| Cell temperature | 210 ± 2 K |
| Ambient diffraction temperature | 210 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0705 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.1408 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180081 (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 7/05/27. |
7052795.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052795.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052795.cif |
| 31362 | 2011-12-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7052793, 7052794, 7052795, 7052796 via cif-deposit CGI script. |
7052795.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.