Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4109021
Preview
| Coordinates | 4109021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H63 Cl N2 P2 Pd |
|---|---|
| Calculated formula | C34 H63 Cl N2 P2 Pd |
| Title of publication | Transient Palladadiphosphanylcarbenes: Singlet Carbenes with an "Inverse" Electronic Configuration (pπ2 instead of σ2) and Unusual Transannular Metal-Carbene Interactions (πC\ρightarrowPd Donation and σPd\ρightarrowC Back-donation) |
| Authors of publication | Joan Vignolle; Heinz Gornitzka; Laurent Maron; Wolfgang W. Schoeller; Didier Bourissou; Guy Bertrand |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 978 - 985 |
| a | 10.3644 ± 0.0012 Å |
| b | 12.56 ± 0.0015 Å |
| c | 14.1755 ± 0.0017 Å |
| α | 91.41 ± 0.002° |
| β | 99.142 ± 0.002° |
| γ | 101.852 ± 0.002° |
| Cell volume | 1779.9 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.049 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178836 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/90. |
4109021.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109021.cif |
| 57772 | 2012-05-21 | cif/ Adding structures of 4109021 via cif-deposit CGI script. |
4109021.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.