Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4110286
Preview
| Coordinates | 4110286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H23 Cl10 N3 O2 Pd |
|---|---|
| Calculated formula | C29 H23 Cl10 N3 O2 Pd |
| SMILES | [Pd]12(Cl)(N3C(=O)CCC3=O)([n]3ccccc3c3ccccc13)[n]1ccccc1c1ccccc21.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl |
| Title of publication | Reactivity of Pd(II) Complexes with Electrophilic Chlorinating Reagents: Isolation of Pd(IV) Products and Observation of C-Cl Bond-Forming Reductive Elimination |
| Authors of publication | Salena R. Whitfield; Melanie S. Sanford |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 15142 - 15143 |
| a | 9.264 ± 0.005 Å |
| b | 12.458 ± 0.007 Å |
| c | 16.136 ± 0.009 Å |
| α | 73.298 ± 0.007° |
| β | 87.149 ± 0.007° |
| γ | 75.923 ± 0.008° |
| Cell volume | 1729.7 ± 1.7 Å3 |
| Cell temperature | 108 ± 2 K |
| Ambient diffraction temperature | 108 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0608 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1249 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178873 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/02. |
4110286.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110286.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110286.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110286.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.