Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019859
Preview
| Coordinates | 2019859.cif |
|---|---|
| Structure factors | 2019859.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>'](<i>N</i>,<i>N</i>'-dimethylthiourea-κ<i>S</i>)(thiocyanato-κ<i>N</i>)copper(I) |
|---|---|
| Formula | C31 H34 Cu N3 P2 S2 |
| Calculated formula | C31 H34 Cu N3 P2 S2 |
| Title of publication | Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ2P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I) |
| Authors of publication | Wattanakanjana, Yupa; Nimthong-Roldán, Arunpatcha; Ratthiwan, Janejira |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | m61 |
| a | 9.9727 ± 0.0015 Å |
| b | 31.971 ± 0.005 Å |
| c | 10.2162 ± 0.0015 Å |
| α | 90° |
| β | 110.022 ± 0.002° |
| γ | 90° |
| Cell volume | 3060.4 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1084 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| 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 | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019859.cif 2019859.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019859.cif 2019859.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019859.cif 2019859.hkl |
| 131678 | 2015-02-11 | cif/ hkl/ Adding structures of 2019859 via cif-deposit CGI script. |
2019859.cif 2019859.hkl |
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.