Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4064189
Preview
| Coordinates | 4064189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ad215 |
|---|---|
| Formula | C77 H60 Cl2 N4 O3 Pt4 |
| Calculated formula | C77 H60 Cl2 N4 O3 Pt4 |
| SMILES | [Pt]123(c4cccc5ccc6ccc[n]1c6c45)[Cl][Pt]14(c5cccc6ccc7ccc[n]1c7c56)[C]([Pt]1(c5cccc6ccc7ccc[n]1c7c56)[Cl][Pt]1(c5cccc6ccc7ccc[n]1c7c56)[C]2#[C]3c1ccccc1)#[C]4c1ccccc1.O=C(C)C.O=C(C)C.O=C(C)C |
| Title of publication | Remarkable Influence of the Cyclometalating Ligand on the Nuclearity and Properties of Heterobridged (μ-X)(μ-C≡CR) Platinum(II) Complexes |
| Authors of publication | Berenguer, Jesús R.; Díez, Álvaro; García, Ana; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio; Torroba, Javier |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 6 |
| Pages of publication | 1646 |
| a | 17.584 ± 0.0002 Å |
| b | 17.938 ± 0.0002 Å |
| c | 20.878 ± 0.0003 Å |
| α | 90° |
| β | 108.513 ± 0.001° |
| γ | 90° |
| Cell volume | 6244.59 ± 0.14 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.0957 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.0772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178535 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/41. |
4064189.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064189.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064189.cif |
| 32810 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064187, 4064188, 4064189 via cif-deposit CGI script. |
4064189.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.