Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8102116
Preview
| Coordinates | 8102116.cif |
|---|
| Chemical name | bromo-(1,10-phenanthroline-N,N')- (4-(N,N-dimethylamino)phenyldiphenylphosphine)-copper(i) |
|---|---|
| Formula | C32 H28 Br Cu N3 P |
| Calculated formula | C32 H28 Br Cu N3 P |
| SMILES | [Cu]1(Br)([P](c2ccc(N(C)C)cc2)(c2ccccc2)c2ccccc2)[n]2cccc3ccc4ccc[n]1c4c23 |
| Title of publication | Crystal structure of bromo-(1,10-phenanthroline-N,N')-(4-(N,N-dimethylamino) phenyldiphenylphosphine)-copper(I), CuBr(C~12~H~8~N~2~)(C~20~H~20~NP) |
| Authors of publication | Al-Fayez, Sahar; Abdel-Rahman, Laila H.; Shemsi, Ahsan M.; Seddigi, Zaki S.; Fettouhi, Mohammed |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 205 - 206 |
| a | 9.8038 ± 0.0012 Å |
| b | 13.3687 ± 0.0016 Å |
| c | 21.574 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2827.6 ± 0.6 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0522 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0792 |
| Weighted residual factors for all reflections included in the refinement | 0.0859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102116.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102116.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102116.cif |
| 12855 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102116 via cif-deposit CGI script. |
8102116.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.