Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085174
Preview
| Coordinates | 4085174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H27 F6 N3 O8 Ru S2 |
|---|---|
| Calculated formula | C24 H27 F6 N3 O8 Ru S2 |
| Title of publication | Monomer–Dimer Divergent Behavior toward DNA in a Half-Sandwich Ruthenium(II) Aqua Complex. Antiproliferative Biphasic Activity |
| Authors of publication | Busto, Natalia; Martínez-Alonso, Marta; Leal, José M.; Rodríguez, Ana M.; Domínguez, Fernando; Acuña, M Isabel; Espino, Gustavo; García, Begoña |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 1 |
| Pages of publication | 319 |
| a | 9.4783 ± 0.0011 Å |
| b | 32.077 ± 0.004 Å |
| c | 10.0286 ± 0.0012 Å |
| α | 90° |
| β | 94.168 ± 0.002° |
| γ | 90° |
| Cell volume | 3041 ± 0.6 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 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 | 0.1059 |
| Residual factor for significantly intense reflections | 0.0728 |
| Weighted residual factors for significantly intense reflections | 0.1951 |
| Weighted residual factors for all reflections included in the refinement | 0.2106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4085174.cif |
| 178740 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/51. |
4085174.cif |
| 130814 | 2015-02-04 | cif/ Updating files of 4085173, 4085174 Original log message: Adding full bibliography for 4085173--4085174.cif. |
4085174.cif |
| 129260 | 2014-12-30 | cif/ Adding structures of 4085173, 4085174 via cif-deposit CGI script. |
4085174.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.