Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7039695
Preview
Coordinates | 7039695.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H23 Cl O2 Ru S2 |
---|---|
Calculated formula | C20 H23 Cl O2 Ru S2 |
SMILES | [Ru]123456(Cl)([S]=C(SC)C=C(O1)c1cc(O)ccc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C |
Title of publication | Unusual mode of protein binding by a cytotoxic π-arene ruthenium(ii) piano-stool compound containing an O,S-chelating ligand. |
Authors of publication | Hildebrandt, Jana; Görls, Helmar; Häfner, Norman; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Weigand, Wolfgang; Merlino, Antonello |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 31 |
Pages of publication | 12283 - 12287 |
a | 22.107 ± 0.0004 Å |
b | 11.4122 ± 0.0002 Å |
c | 7.9006 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1993.24 ± 0.06 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0151 |
Residual factor for significantly intense reflections | 0.0149 |
Weighted residual factors for significantly intense reflections | 0.0362 |
Weighted residual factors for all reflections included in the refinement | 0.0364 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7039695.html
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.