Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1512675
Preview
| Coordinates | 1512675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | {(hapto^6^-p-Cymene)[N-(8-bromo-5,11-dihydroindolo[3,2-c]quinolin-6- ylidene)-kappaN'-(1-kappaN-pyridin-2-yl-ethylidene)]azine chloridoruthenium(II)}chloride monomethanol solvate |
|---|---|
| Formula | C33 H34 Br Cl2 N5 O Ru |
| Calculated formula | C33 H34 Br Cl2 N5 O Ru |
| SMILES | [Ru]123456(Cl)([N](N=C7Nc8ccccc8c8[nH]c9c(c78)cc(Br)cc9)=C(C)c7[n]1cccc7)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.[Cl-].OC |
| Title of publication | Ruthenium- and Osmium-Arene Complexes of 8-Substituted Indolo[3,2-c]quinolines: Synthesis,X-ray Diffraction Structures, Spectroscopic Properties, and Antiproli- ferative Activity |
| Authors of publication | Lukas K. Filak; Simone Goeschl; Stefanie Hackl; Michael A. Jakupec; Vladimir B. Arion |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2012 |
| Journal volume | 393 |
| Pages of publication | 252 - 260 |
| a | 9.3254 ± 0.0005 Å |
| b | 13.5216 ± 0.0008 Å |
| c | 13.5306 ± 0.0008 Å |
| α | 67.646 ± 0.004° |
| β | 89.989 ± 0.004° |
| γ | 85.886 ± 0.003° |
| Cell volume | 1573.17 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0592 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1512675.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512675.cif |
| 90735 | 2013-11-18 | cif/ Adding structures of 1512675 via cif-deposit CGI script. |
1512675.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.