Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4068055
Preview
| Coordinates | 4068055.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H37 N Ni O2 P2 |
|---|---|
| Calculated formula | C26 H37 N Ni O2 P2 |
| SMILES | [Ni]1([P](C(C)C)(C(C)C)c2ccccc2Nc2ccccc2[P]1(C(C)C)C(C)C)(C#[O])C#[O] |
| Title of publication | Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination |
| Authors of publication | Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 2 |
| Pages of publication | 700 |
| a | 10.0031 ± 0.0002 Å |
| b | 16.4058 ± 0.0004 Å |
| c | 18.7458 ± 0.0005 Å |
| α | 64.688 ± 0.001° |
| β | 75.422 ± 0.001° |
| γ | 90.006 ± 0.001° |
| Cell volume | 2670.99 ± 0.11 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.1671 |
| Residual factor for significantly intense reflections | 0.1348 |
| Weighted residual factors for significantly intense reflections | 0.3727 |
| Weighted residual factors for all reflections included in the refinement | 0.3947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178506 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/80. |
4068055.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068055.cif |
| 38071 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4068054, 4068055, 4068056, 4068057, 4068058, 4068059, 4068060, 4068061, 4068062, 4068063 via cif-deposit CGI script. |
4068055.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.