Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7022857
Preview
| Coordinates | 7022857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32.5 H33 Cl N2 O3 Pd |
|---|---|
| Calculated formula | C32.5 H33 Cl N2 O3 Pd |
| SMILES | [Pd]12([N](=Cc3[n]2c(c2c(O1)c(ccc2)c1ccccc1)ccc3)c1c(cccc1C(C)C)C(C)C)OC(=O)C.C(Cl)Cl |
| Title of publication | From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers. |
| Authors of publication | Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 21 |
| Pages of publication | 7710 - 7723 |
| a | 15.311 ± 0.002 Å |
| b | 11.6253 ± 0.0017 Å |
| c | 32.923 ± 0.005 Å |
| α | 90° |
| β | 90.364 ± 0.004° |
| γ | 90° |
| Cell volume | 5860 ± 1.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1671 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.1035 |
| Weighted residual factors for all reflections included in the refinement | 0.1271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.841 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179933 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/28. |
7022857.cif |
| 123941 | 2014-09-17 | cif/7 Fixing Z value and formulae for several entries |
7022857.cif |
| 90363 | 2013-11-17 | cif/ Adding structures of 7022855, 7022856, 7022857, 7022858, 7022859, 7022860, 7022861, 7022862, 7022863, 7022864, 7022865 via cif-deposit CGI script. |
7022857.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.