Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228706
Preview
| Coordinates | 2228706.cif |
|---|---|
| Structure factors | 2228706.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ-Bis(diphenylphosphanyl)acetonitrile- κ^2^<i>P</i>:<i>P</i>]bis[chloridogold(I)] |
|---|---|
| Formula | C26 H21 Au2 Cl2 N P2 |
| Calculated formula | C26 H21 Au2 Cl2 N P2 |
| SMILES | [Au](Cl)[P](c1ccccc1)(C([P]([Au]Cl)(c1ccccc1)c1ccccc1)C#N)c1ccccc1 |
| Title of publication | [μ-Bis(diphenylphosphanyl)acetonitrile-κ^2^<i>P</i>:<i>P</i>]bis[chloridogold(I)] |
| Authors of publication | Sithole, Sicelo V.; Staples, Richard J.; van Zyl, Werner E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m64 |
| a | 13.9062 ± 0.0008 Å |
| b | 12.6837 ± 0.0007 Å |
| c | 14.7938 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2609.4 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0257 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.0632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181208 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/87. |
2228706.cif 2228706.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228706.cif 2228706.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228706.cif 2228706.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228706.cif 2228706.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228706.cif 2228706.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228706.cif 2228706.hkl |
| 9838 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228706 via cif-deposit CGI script. |
2228706.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.