Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1569446
Preview
| Coordinates | 1569446.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73.5 H70.26 B2 N4.75 O2 Ru S2 |
|---|---|
| Calculated formula | C73.504 H70.256 B2 N4.752 O2 Ru S2 |
| Title of publication | Photocrystallography of [Ru(bpy)2(dmso)2]2+ reveals an O-bonded metastable state |
| Authors of publication | Marr, Zoe Y.; Thapa Magar, Rajani; Fournier, Bertrand; Benedict, Jason B.; Rack, Jeffrey J. |
| Journal of publication | Chemical Science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 26 |
| Pages of publication | 7279 - 7284 |
| a | 22.0253 ± 0.0007 Å |
| b | 14.2617 ± 0.0005 Å |
| c | 22.4081 ± 0.0008 Å |
| α | 90° |
| β | 119.274 ± 0.001° |
| γ | 90° |
| Cell volume | 6139.9 ± 0.4 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 7 |
| 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 | 0.064 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284996 (current) | 2023-07-06 | cif/ Adding structures of 1569446, 1569447, 1569448 via cif-deposit CGI script. |
1569446.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.