Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4318246
Preview
Coordinates | 4318246.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | trans,cis,cis-dichloro-bis(dimethylsulfoxide,O)- nitrosyl-nitro-ruthenium(III) |
---|---|
Formula | C4 H12 Cl2 N2 O5 Ru S2 |
Calculated formula | C4 H12 Cl2 N2 O5 Ru S2 |
SMILES | [Ru](Cl)(Cl)([O]=S(C)C)([O]=S(C)C)(N=O)N(=O)=O |
Title of publication | Synthesis and Structural, Spectroscopic, and Electrochemical Characterization of New Ruthenium Dimethyl Sulfoxide Nitrosyls |
Authors of publication | Barbara Serli; Ennio Zangrando; Elisabetta Iengo; Giovanni Mestroni; Lesley Yellowlees; Enzo Alessio |
Journal of publication | Inorganic Chemistry |
Year of publication | 2002 |
Journal volume | 41 |
Pages of publication | 4033 - 4043 |
a | 8.827 ± 0.001 Å |
b | 13.514 ± 0.001 Å |
c | 11.795 ± 0.001 Å |
α | 90° |
β | 102.958 ± 0.009° |
γ | 90° |
Cell volume | 1371.2 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0549 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1186 |
Weighted residual factors for all reflections included in the refinement | 0.1244 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/4318246.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.