Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4341111
Preview
| Coordinates | 4341111.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tetrakis(mu-thiobenzoato-1kS:2kO)(aqua-2kO)(chlorido-1kCl) nickelplatinum - tetrahydrofurane (1/2) |
|---|---|
| Formula | C36 H38 Cl Ni O7 Pt S4 |
| Calculated formula | C36 H38 Cl Ni O7 Pt S4 |
| SMILES | [Pt]1234([Ni]([O]=C(S1)c1ccccc1)([O]=C(S2)c1ccccc1)([O]=C(S3)c1ccccc1)([O]=C(S4)c1ccccc1)[OH2])Cl.O1CCCC1.O1CCCC1 |
| Title of publication | On the Road to MM'X Polymers: Redox Properties of Heterometallic Ni···Pt Paddlewheel Complexes. |
| Authors of publication | Gennari, Marcello; Givaja, Gonzalo; Castillo, Oscar; Hermosilla, Laura; Gómez-García, Carlos J; Duboc, Carole; Lledós, Agustí; Mas-Ballesté, Ruben; Zamora, Felix |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 19 |
| Pages of publication | 10553 - 10562 |
| a | 21.743 ± 0.005 Å |
| b | 11.782 ± 0.002 Å |
| c | 14.893 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3815.2 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1321 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.2183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179514 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/11. |
4341111.cif |
| 126990 | 2014-11-12 | cif/ Updating files of 4341110, 4341111 Original log message: Adding full bibliography for 4341110--4341111.cif. |
4341111.cif |
| 124058 | 2014-09-20 | cif/ Adding structures of 4341110, 4341111 via cif-deposit CGI script. |
4341111.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.