Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7013148
Preview
| Coordinates | 7013148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51.5 H43 Cl3 N O2 P Ru |
|---|---|
| Calculated formula | C51.5 H43 Cl3 N O2 P Ru |
| SMILES | [Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)OC(Cc3[n]2c(ccc3)CC(O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl |
| Title of publication | Nitrido-ruthenium(vi) and -osmium(vi) complexes of multianionic chelating (N, O) ligands. Reactions with nucleophiles, electrophiles and oxidizing agentsElectronic supplementary information (ESI) available: Fig. S1?S6. See http://www.rsc.org/suppdata/dt/b3/b304920p/ |
| Authors of publication | Yip, Ka-Lai; Yu, Wing-Yiu; Chan, Pui-Ming; Zhu, Nian-Yong; Che, Chi-Ming |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 18 |
| Pages of publication | 3556 |
| a | 15.254 ± 0.002 Å |
| b | 17.659 ± 0.002 Å |
| c | 19.344 ± 0.003 Å |
| α | 75.31 ± 0.02° |
| β | 70.65 ± 0.02° |
| γ | 69.06 ± 0.02° |
| Cell volume | 4537.3 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0779 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1528 |
| Weighted residual factors for all reflections included in the refinement | 0.1745 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7013148.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7013148.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7013148.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7013148.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.