Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4324866
Preview
| Coordinates | 4324866.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H49 Au2 Cl5 N2 O2 P4 Pd |
|---|---|
| Calculated formula | C57 H49 Au2 Cl5 N2 O2 P4 Pd |
| SMILES | [Au]([P](C1=C2N([Pd]3([P]1(c1ccccc1)c1ccccc1)[P](C(=C1N3CCO1)[P]([Au]Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)CCO2)(c1ccccc1)c1ccccc1)Cl.ClC(Cl)Cl |
| Title of publication | Unexpected Metal-Induced Isomerisms and Phosphoryl Migrations in Pt(II) and Pd(II) Complexes of the Functional Phosphine 2-(Bis(diphenylphosphino)methyl)-oxazoline |
| Authors of publication | Shuanming Zhang; Roberto Pattacini; Pierre Braunstein |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 3511 - 3522 |
| a | 25.1972 ± 0.0004 Å |
| b | 24.7389 ± 0.0005 Å |
| c | 18.8381 ± 0.0004 Å |
| α | 90° |
| β | 107.414 ± 0.001° |
| γ | 90° |
| Cell volume | 11204.5 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1137 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179351 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/48. |
4324866.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324866.cif |
| 43317 | 2012-03-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4324866 via cif-deposit CGI script. |
4324866.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.