Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7016929
Preview
| Coordinates | 7016929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H66 Cl4 F12 N4 O6 P2 Ru2 S6 |
|---|---|
| Calculated formula | C25 H66 Cl4 F12 N4 O6 P2 Ru2 S6 |
| SMILES | [Ru]1(Cl)([S](=O)(C)C)([S](=O)(C)C)([S](=O)(C)C)[NH2][C@@H]2[C@@H]([NH2]1)CCCC2.[Ru]1(Cl)([S](=O)(C)C)([S](=O)(C)C)([S](=O)(C)C)[NH2][C@H]2[C@H]([NH2]1)CCCC2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl |
| Title of publication | New half sandwich-type Ru(ii) coordination compounds characterized by the fac-Ru(dmso-S)(3) fragment: influence of the face-capping group on the chemical behavior and in vitro anticancer activity. |
| Authors of publication | Bratsos, Ioannis; Simonin, Camilla; Zangrando, Ennio; Gianferrara, Teresa; Bergamo, Alberta; Alessio, Enzo |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 37 |
| Pages of publication | 9533 - 9543 |
| a | 21.399 ± 0.004 Å |
| b | 16.056 ± 0.003 Å |
| c | 15.126 ± 0.002 Å |
| α | 90° |
| β | 92.37 ± 0.02° |
| γ | 90° |
| Cell volume | 5192.6 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.1096 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1169 |
| Weighted residual factors for all reflections included in the refinement | 0.1314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.83 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179873 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/69. |
7016929.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016929.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016929.cif |
| 28111 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016925, 7016926, 7016927, 7016928, 7016929, 7016930, 7016931 via cif-deposit CGI script. |
7016929.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.