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Information card for entry 4075857
Preview
| Coordinates | 4075857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis-diazolePdCl2 + 0.5MeCN |
|---|---|
| Formula | C16 H25.5 Cl2 N4.5 Pd |
| Calculated formula | C16 H25.5 Cl2 N4.5 Pd |
| SMILES | CCCCN1C=CN2C1=[Pd](=C1N(C2)C=CN1CCCC)(Cl)Cl.CC#N |
| Title of publication | Low-Melting Dialkyl- and Bis(polyfluoroalkyl)-Substituted 1,1‘-Methylenebis(imidazolium) and 1,1‘-Methylenebis(1,2,4-triazolium) Bis(trifluoromethanesulfonyl)amides: Ionic Liquids Leading to Bis(N-heterocyclic carbene) Complexes of Palladium |
| Authors of publication | Jin, Chuan-Ming; Twamley, Brendan; Shreeve, Jean'ne M. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 12 |
| Pages of publication | 3020 |
| a | 10.1787 ± 0.0005 Å |
| b | 14.5223 ± 0.0006 Å |
| c | 13.365 ± 0.0006 Å |
| α | 90° |
| β | 102.214 ± 0.001° |
| γ | 90° |
| Cell volume | 1930.87 ± 0.15 Å3 |
| Cell temperature | 86 ± 2 K |
| Ambient diffraction temperature | 86 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4075857.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075857.cif |
| 50706 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075857 via cif-deposit CGI script. |
4075857.cif |
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Users of the data should acknowledge the original authors of the
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