Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2237939
Preview
| Coordinates | 2237939.cif |
|---|---|
| Structure factors | 2237939.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>anti</i>-Chloridothiosemicabazide-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)copper(I) 0.48-hydrate |
|---|---|
| Formula | C37 H35.96 Cl Cu N3 O0.48 P2 S |
| Calculated formula | C37 H35.958 Cl Cu N3 O0.479 P2 S |
| Title of publication | (<i>anti</i>-Chloridothiosemicabazide-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)copper(I) 0.48-hydrate |
| Authors of publication | Nimthong, Ruthairat; Pakawatchai, Chaveng; Phongphayak, Nutchanat; Wattanakanjana, Yupa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | m244 - m245 |
| a | 14.8723 ± 0.0007 Å |
| b | 12.4829 ± 0.0006 Å |
| c | 19.2103 ± 0.0009 Å |
| α | 90° |
| β | 96.126 ± 0.001° |
| γ | 90° |
| Cell volume | 3546 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181301 (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 2/23/79. |
2237939.cif 2237939.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. |
2237939.cif 2237939.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. |
2237939.cif 2237939.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237939.cif 2237939.hkl |
| 86627 | 2013-07-11 | cif/ Adding structures of 2237939 via cif-deposit CGI script. |
2237939.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.