Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1565067
Preview
| Coordinates | 1565067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C87 H100 Al2 Cr N4 O8 |
|---|---|
| Calculated formula | C87 H103 Al2 Cr N4 O8 |
| Title of publication | Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation |
| Authors of publication | Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 27.4194 ± 0.0008 Å |
| b | 12.1333 ± 0.0004 Å |
| c | 24.929 ± 0.0009 Å |
| α | 90° |
| β | 102.408 ± 0.003° |
| γ | 90° |
| Cell volume | 8099.9 ± 0.5 Å3 |
| Cell temperature | 173 ± 0.14 K |
| Ambient diffraction temperature | 173 ± 0.14 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1209 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1145 |
| Weighted residual factors for all reflections included in the refinement | 0.139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270109 (current) | 2021-10-29 | cif/ Adding structures of 1565062, 1565063, 1565064, 1565065, 1565066, 1565067, 1565068, 1565069, 1565070, 1565071, 1565072 via cif-deposit CGI script. |
1565067.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.