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Information card for entry 4084369
Preview
| Coordinates | 4084369.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H60 F12 N14 P2 Pd2 |
|---|---|
| Calculated formula | C42 H60 F12 N14 P2 Pd2 |
| SMILES | [Pd]123n4[n]5[Pd]6([n]7n1c(cc7CN1C=6N(C=C1)CCCC)CN1C=3N(C=C1)CCCC)=C1N(Cc5cc4CN3C=2N(C=C3)CCCC)C=CN1CCCC.N#CC.N#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Dinuclear Palladium Complexes of Pyrazole-Bridged Bis(NHC) Ligands: A Delicate Balance between Normal and Abnormal Carbene Coordination |
| Authors of publication | Guo, Tongxun; Dechert, Sebastian; Meyer, Franc |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 19 |
| Pages of publication | 5145 |
| a | 22.8605 ± 0.0012 Å |
| b | 7.9596 ± 0.0002 Å |
| c | 28.0165 ± 0.0013 Å |
| α | 90° |
| β | 92.004 ± 0.004° |
| γ | 90° |
| Cell volume | 5094.8 ± 0.4 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0583 |
| Weighted residual factors for all reflections included in the refinement | 0.0605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178732 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/43. |
4084369.cif |
| 127225 | 2014-11-12 | cif/ Updating files of 4084368, 4084369, 4084370, 4084371, 4084372, 4084373, 4084374 Original log message: Adding full bibliography for 4084368--4084374.cif. |
4084369.cif |
| 123646 | 2014-09-10 | cif/ Adding structures of 4084368, 4084369, 4084370, 4084371, 4084372, 4084373, 4084374 via cif-deposit CGI script. |
4084369.cif |
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