Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2023208
Preview
Coordinates | 2023208.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Bis[(η^5^-<i>tert</i>-butylcyclopentadienyl)tricarbonylmolybdenum(I)](<i>Mo</i>—<i>Mo</i>) |
---|---|
Formula | C24 H26 Mo2 O6 |
Calculated formula | C24 H26 Mo2 O6 |
Title of publication | Crystal structure of bis[(η5-tert-butylcyclopentadienyl)tricarbonylmolybdenum(I)](Mo—Mo) |
Authors of publication | Ibrahimova, Nigar Z.; Tagiyev, Dilgam B.; Lyatifov, Iltifat U.; Akkurt, Mehmet; Hasanov, Khudayar I.; Bhattarai, Ajaya |
Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 8 |
a | 12.1857 ± 0.0007 Å |
b | 8.0515 ± 0.0005 Å |
c | 12.6153 ± 0.0008 Å |
α | 90° |
β | 105.49 ± 0.002° |
γ | 90° |
Cell volume | 1192.77 ± 0.13 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0362 |
Residual factor for significantly intense reflections | 0.0252 |
Weighted residual factors for significantly intense reflections | 0.0495 |
Weighted residual factors for all reflections included in the refinement | 0.0536 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
293523 (current) | 2024-07-24 | cif/ Adding structures of 2023208 via cif-deposit CGI script. |
2023208.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.