Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4338736
Preview
| Coordinates | 4338736.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H36 N2 O10 Ru2 |
|---|---|
| Calculated formula | C34 H36 N2 O10 Ru2 |
| SMILES | [Ru]123([O]=C4c5c(C6=[O][Ru]78(Nc9ccc(N3)c4c69)([O]=C(C)C=C(O7)C)[O]=C(C)C=C(O8)C)cccc5)([O]=C(C)C=C(O1)C)OC(=CC(=[O]2)C)C |
| Title of publication | Sensitivity of the valence structure in diruthenium complexes as a function of terminal and bridging ligands. |
| Authors of publication | Mandal, Abhishek; Agarwala, Hemlata; Ray, Ritwika; Plebst, Sebastian; Mobin, Shaikh M.; Priego, José Luis; Jiménez-Aparicio, Reyes; Kaim, Wolfgang; Lahiri, Goutam Kumar |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 12 |
| Pages of publication | 6082 - 6093 |
| a | 10.8407 ± 0.0005 Å |
| b | 11.9348 ± 0.0006 Å |
| c | 14.6625 ± 0.0006 Å |
| α | 97.885 ± 0.004° |
| β | 107.085 ± 0.004° |
| γ | 101.924 ± 0.004° |
| Cell volume | 1734.04 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0614 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179490 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/87. |
4338736.cif |
| 119107 | 2014-07-05 | cif/ Updating files of 4338735, 4338736, 4338737 Original log message: Adding full bibliography for 4338735--4338737.cif. |
4338736.cif |
| 115968 | 2014-06-06 | cif/ Adding structures of 4338736 via cif-deposit CGI script. |
4338736.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.