Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573845
Preview
Coordinates | 1573845.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H46 Co N2 P2 S4 |
---|---|
Calculated formula | C62 H46 Co N2 P2 S4 |
Title of publication | Cobalt and Iron Cyano Benzene Bis(Dithiolene) Complexes |
Authors of publication | Costa, António G.; Lopes, Gonçalo; Rodrigues, João F. G.; Santos, Isabel C.; Simão, Dulce; Lopes, Elsa B.; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra |
Journal of publication | Crystals |
Year of publication | 2024 |
Journal volume | 14 |
Journal issue | 5 |
Pages of publication | 469 |
a | 14.0437 ± 0.0007 Å |
b | 22.4513 ± 0.0013 Å |
c | 26.2961 ± 0.0015 Å |
α | 88.93 ± 0.002° |
β | 78.425 ± 0.002° |
γ | 87.578 ± 0.002° |
Cell volume | 8114.8 ± 0.8 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 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 | 0.3416 |
Residual factor for significantly intense reflections | 0.0945 |
Weighted residual factors for significantly intense reflections | 0.1375 |
Weighted residual factors for all reflections included in the refinement | 0.185 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.825 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
297586 (current) | 2025-02-04 | cif/ Adding structures of 1573845 via cif-deposit CGI script. |
1573845.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.