Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4083285
Preview
| Coordinates | 4083285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H46 P2 |
|---|---|
| Calculated formula | C33 H46 P2 |
| Title of publication | Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone |
| Authors of publication | Barrett, Brittany J.; Iluc, Vlad M. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 10 |
| Pages of publication | 2565 |
| a | 13.5186 ± 0.0011 Å |
| b | 12.0847 ± 0.0009 Å |
| c | 18.223 ± 0.0014 Å |
| α | 90° |
| β | 93.335 ± 0.002° |
| γ | 90° |
| Cell volume | 2972 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0406 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0661 |
| Weighted residual factors for all reflections included in the refinement | 0.0711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4083285.cif |
| 178721 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/32. |
4083285.cif |
| 115877 | 2014-06-05 | cif/ Updating files of 4083285, 4083286, 4083287, 4083288, 4083289, 4083290, 4083291, 4083292, 4083293 Original log message: Adding full bibliography for 4083285--4083293.cif. |
4083285.cif |
| 113766 | 2014-05-14 | cif/ Adding structures of 4083285, 4083286, 4083287, 4083288, 4083289, 4083290, 4083291, 4083292, 4083293 via cif-deposit CGI script. |
4083285.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.