Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4072017
Preview
| Coordinates | 4072017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H26 Cl2 N2 O Pt Si |
|---|---|
| Calculated formula | C23 H26 Cl2 N2 O Pt Si |
| SMILES | [Pt]1(N(C(=CC(=[N]1c1ccc(Cl)cc1)C)C)c1ccc(Cl)cc1)(C#[O])C[Si](C)(C)C=C |
| Title of publication | Alkyne Insertion into the Pt−H Bond of Pt(H)(1-pentene)(β-diiminate) Initiates a Reaction Cascade That Results in C−H Activation or C−C Coupling |
| Authors of publication | West, Nathan M.; White, Peter S.; Templeton, Joseph L. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5252 |
| a | 12.6224 ± 0.0005 Å |
| b | 9.555 ± 0.0004 Å |
| c | 20.1223 ± 0.0008 Å |
| α | 90° |
| β | 91.486 ± 0.002° |
| γ | 90° |
| Cell volume | 2426.07 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0278 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.0615 |
| Weighted residual factors for all reflections included in the refinement | 0.0626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4072017.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072017.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072017.cif |
| 44175 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072017 via cif-deposit CGI script. |
4072017.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.