Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555286
Preview
| Coordinates | 1555286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H39 N P2 W |
|---|---|
| Calculated formula | C37 H39 N P2 W |
| SMILES | [W]12345([P](Cc6[n]2c(ccc6)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([CH2]=[CH2]3)([CH2]=[CH2]4)[CH2]=[CH2]5 |
| Title of publication | Molybdenum and tungsten complexes with carbon dioxide and ethylene ligands |
| Authors of publication | Álvarez, María; Galindo, Agustín; Pérez, Pedro J.; Carmona, Ernesto |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| Journal volume | 10 |
| Journal issue | 37 |
| Pages of publication | 8541 |
| a | 13.5747 ± 0.0004 Å |
| b | 14.527 ± 0.0004 Å |
| c | 15.6334 ± 0.0005 Å |
| α | 90° |
| β | 103.04 ± 0.002° |
| γ | 90° |
| Cell volume | 3003.4 ± 0.16 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.0642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238437 (current) | 2019-11-24 | cif/ Adding structures of 1555285, 1555286, 1555287, 1555288, 1555289, 1555290 via cif-deposit CGI script. |
1555286.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.