Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7249433
Preview
| Coordinates | 7249433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H25 F3 Mn N4 O6 P S |
|---|---|
| Calculated formula | C31 H25 F3 Mn N4 O6 P S |
| Title of publication | Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand |
| Authors of publication | Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R. |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 43 |
| Pages of publication | 31502 - 31516 |
| a | 11.99461 ± 0.00014 Å |
| b | 14.01447 ± 0.00015 Å |
| c | 19.186 ± 0.0002 Å |
| α | 90° |
| β | 96.0115 ± 0.0011° |
| γ | 90° |
| Cell volume | 3207.39 ± 0.06 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 8 |
| 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 | 0.0321 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0743 |
| Weighted residual factors for all reflections included in the refinement | 0.0762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295078 (current) | 2024-10-06 | cif/ Adding structures of 7249429, 7249430, 7249431, 7249432, 7249433, 7249434, 7249435 via cif-deposit CGI script. |
7249433.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.