Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4072332
Preview
| Coordinates | 4072332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (quinolin-8-olato-kappaN^1^,kappaO^8^)(1H-indazol-1-ide-kappaN^2^) (1,2,3,4,5,6-hapto)-1-isopropyl-4-methylbenzene-osmium(II) trimethanol solvate |
|---|---|
| Formula | C29 H37 N3 O4 Os |
| Calculated formula | C29 H37 N3 O4 Os |
| SMILES | [Os]123456(Oc7cccc8ccc[n]1c78)(n1nc7c(c1)cccc7)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.OC.OC.OC |
| Title of publication | Water-Soluble Mixed-Ligand Ruthenium(II) and Osmium(II) Arene Complexes with High Antiproliferative Activity |
| Authors of publication | Schuecker, Raffael; John, Roland O.; Jakupec, Michael A.; Arion, Vladimir B.; Keppler, Bernhard K. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 24 |
| Pages of publication | 6587 |
| a | 10.441 ± 0.0005 Å |
| b | 11.3821 ± 0.0005 Å |
| c | 13.4172 ± 0.0007 Å |
| α | 90.499 ± 0.003° |
| β | 108.143 ± 0.002° |
| γ | 112.641 ± 0.002° |
| Cell volume | 1383.35 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0139 |
| Residual factor for significantly intense reflections | 0.0123 |
| Weighted residual factors for significantly intense reflections | 0.0298 |
| Weighted residual factors for all reflections included in the refinement | 0.0304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4072332.cif |
| 178612 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/23. |
4072332.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072332.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072332.cif |
| 44355 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072331, 4072332, 4072333, 4072334, 4072335, 4072336 via cif-deposit CGI script. |
4072332.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.