Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4071525
Preview
| Coordinates | 4071525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H67 Cl4 Fe N2 O3 P2 Pt Re |
|---|---|
| Calculated formula | C80 H67 Cl4 Fe N2 O3 P2 Pt Re |
| Title of publication | Heterotrimetallic M−M′−M′′ Transition Metal Complexes Based on 1,3,5-Triethynylbenzene: Synthesis, Solid State Structure, and Electrochemical and UV−Vis Characterization. EPR Analysis of thein SituGenerated Associated Radical Cations |
| Authors of publication | Packheiser, Rico; Ecorchard, Petra; Rüffer, Tobias; Lohan, Manja; Bräuer, Björn; Justaud, Frédéric; Lapinte, Claude; Lang, Heinrich |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 14 |
| Pages of publication | 3444 |
| a | 23.2869 ± 0.001 Å |
| b | 12.9871 ± 0.0005 Å |
| c | 24.1528 ± 0.0009 Å |
| α | 90° |
| β | 93.857 ± 0.003° |
| γ | 90° |
| Cell volume | 7288 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0546 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178604 (current) | 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 4/07/15. |
4071525.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071525.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071525.cif |
| 43892 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071525 via cif-deposit CGI script. |
4071525.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.