Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4307908
Preview
| Coordinates | 4307908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17.5 H19.5 Cl3.5 N O Pt S |
|---|---|
| Calculated formula | C17.5 H19.5 Cl3.5 N O Pt S |
| SMILES | ClC(Cl)Cl.[Pt]([S]1(=O)CCCC1)([NH]=C(c1ccccc1)c1ccccc1)(Cl)Cl |
| Title of publication | First Example of the Solid-State Thermal Cyclometalation of Ligated Benzophenone Imine Giving Novel Luminescent Platinum(II) Species |
| Authors of publication | Yulia Yu. Scaffidi-Domianello; Alexey A. Nazarov; Matti Haukka; Markus Galanski; Bernhard K. Keppler; Jacob Schneider; Pingwu Du; Richard Eisenberg; Vadim Yu. Kukushkin |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 4469 - 4482 |
| a | 19.869 ± 0.002 Å |
| b | 18.081 ± 0.003 Å |
| c | 23.197 ± 0.002 Å |
| α | 90° |
| β | 99.181 ± 0.011° |
| γ | 90° |
| Cell volume | 8226.8 ± 1.8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1282 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1462 |
| Weighted residual factors for all reflections included in the refinement | 0.1939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256620 (current) | 2020-09-22 | cif/4 Fixing some Z values and formulae |
4307908.cif |
| 179117 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/79. |
4307908.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307908.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307908.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307908.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.