Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1560003
Preview
| Coordinates | 1560003.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H44 Cl N4 P3 Ti |
|---|---|
| Calculated formula | C45 H44 Cl N4 P3 Ti |
| SMILES | [Ti]12(Cl)(P(P(=[N]1c1ccccc1)(c1ccccc1)c1ccccc1)P(=[N]2c1ccccc1)(c1ccccc1)c1ccccc1)(=NC(C)(C)C)[n]1ccccc1 |
| Title of publication | Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. |
| Authors of publication | Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 12 |
| Journal issue | 1 |
| Pages of publication | 253 - 269 |
| a | 12.209 ± 0.003 Å |
| b | 12.264 ± 0.003 Å |
| c | 15.876 ± 0.004 Å |
| α | 97.041 ± 0.006° |
| β | 99.249 ± 0.006° |
| γ | 98.343 ± 0.006° |
| Cell volume | 2295.3 ± 1 Å3 |
| Cell temperature | 115 K |
| Ambient diffraction temperature | 115 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1959 |
| Residual factor for significantly intense reflections | 0.0708 |
| Weighted residual factors for significantly intense reflections | 0.1543 |
| Weighted residual factors for all reflections included in the refinement | 0.2049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
| 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 |
|---|---|---|---|
| 267045 (current) | 2021-07-05 | cif/ Updating files of 1560000, 1560001, 1560002, 1560003, 1560004, 1560005, 1560006, 1560007, 1560008, 1560009, 1560010, 1560011, 1560012 Original log message: Adding full bibliography for 1560000--1560012.cif. |
1560003.cif |
| 260850 | 2021-01-08 | cif/ Adding structures of 1560000, 1560001, 1560002, 1560003, 1560004, 1560005, 1560006, 1560007, 1560008, 1560009, 1560010, 1560011, 1560012 via cif-deposit CGI script. |
1560003.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.