Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019866
Preview
| Coordinates | 2019866.cif |
|---|---|
| Structure factors | 2019866.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(tri-<i>o</i>-tolylphosphite-κ<i>P</i>)nickel(II) |
|---|---|
| Formula | C63 H63 Ni O9 P3 |
| Calculated formula | C63 H63 Ni O9 P3 |
| Title of publication | Tris(tri-<i>o</i>-tolyl phosphite-κ<i>P</i>)nickel: a coordinatively unsaturated nickel(0) complex |
| Authors of publication | Kampmann, Sven S.; Skelton, Brian W.; Wild, Duncan A.; Koutsantonis, George A.; Stewart, Scott G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| a | 21.5898 ± 0.0009 Å |
| b | 12.3292 ± 0.0003 Å |
| c | 43.403 ± 0.002 Å |
| α | 90° |
| β | 104.129 ± 0.005° |
| γ | 90° |
| Cell volume | 11203.7 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1144 |
| Residual factor for significantly intense reflections | 0.0994 |
| Weighted residual factors for significantly intense reflections | 0.2454 |
| Weighted residual factors for all reflections included in the refinement | 0.2586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
2019866.cif 2019866.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. |
2019866.cif 2019866.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. |
2019866.cif 2019866.hkl |
| 131856 | 2015-02-14 | cif/ hkl/ Adding structures of 2019866 via cif-deposit CGI script. |
2019866.cif 2019866.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.