Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2237545
Preview
| Coordinates | 2237545.cif |
|---|---|
| Structure factors | 2237545.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethylidene]thiosemicabazidato-κ<i>S</i>}bis(triphenylphosphane-κ<i>P</i>)silver(I) |
|---|---|
| Formula | C45 H43 Ag Cl N5 P2 S |
| Calculated formula | C45 H43 Ag Cl N5 P2 S |
| SMILES | [Ag](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]=C(N/N=C(C)/c1nccnc1)NCC |
| Title of publication | Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethylidene]thiosemicabazidato-κ<i>S</i>}bis(triphenylphosphane-κ<i>P</i>)silver(I) |
| Authors of publication | Venkatraman, Ramaiyer; Ruddock, Kleopatra D.; Das, Himangshu S.; Hossain, Md. Alamgir; Fronczek, Frank R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | m137 - m138 |
| a | 12.064 ± 0.0005 Å |
| b | 31.81 ± 0.002 Å |
| c | 21.9207 ± 0.0015 Å |
| α | 90° |
| β | 98.029 ± 0.005° |
| γ | 90° |
| Cell volume | 8329.7 ± 0.9 Å3 |
| Cell temperature | 90 ± 0.5 K |
| Ambient diffraction temperature | 90 ± 0.5 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181297 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/75. |
2237545.cif 2237545.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237545.cif 2237545.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237545.cif 2237545.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237545.cif 2237545.hkl |
| 78841 | 2013-04-02 | cif/ Adding structures of 2237545 via cif-deposit CGI script. |
2237545.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.