Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7710258
Preview
Coordinates | 7710258.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | dichloro(η6-[1-methyl-4-(1-methylethyl)benzene])(hydroxymethyldi[4-methoxybenzene]phosphine)ruthenium(II) |
---|---|
Formula | C25 H31 Cl2 O3 P Ru |
Calculated formula | C25 H31 Cl2 O3 P Ru |
SMILES | CC(C)[c]12[cH]3[cH]4[c]5([cH]6[cH]1[Ru]23456([P](CO)(c1ccc(cc1)OC)c1ccc(cc1)OC)(Cl)Cl)C |
Title of publication | Synthesis, physicochemical characterization and antiproliferative activity of phosphino Ru(II) and Ir(III) complexes. |
Authors of publication | Komarnicka, Urszula Katarzyna; Kozieł, Sandra; Skórska-Stania, Agnieszka; Kyzioł, Agnieszka; Tisato, Francesco |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 9.66 ± 0.0001 Å |
b | 11.1867 ± 0.0001 Å |
c | 23.5077 ± 0.0003 Å |
α | 90° |
β | 92.598 ± 0.001° |
γ | 90° |
Cell volume | 2537.71 ± 0.05 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0471 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0626 |
Weighted residual factors for all reflections included in the refinement | 0.0708 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation probe | x-ray |
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/7710258.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.