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Information card for entry 4073757
Preview
| Coordinates | 4073757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H52 N4 Pd |
|---|---|
| Calculated formula | C42 H52 N4 Pd |
| SMILES | C1(N(CCN1c1ccccc1C(C)C)c1ccccc1C(C)C)=[Pd]=C1N(CCN1c1ccccc1C(C)C)c1ccccc1C(C)C |
| Title of publication | Cyclometalated and Alkoxyphenyl-Substituted Palladium Imidazolin-2-ylidene Complexes. Synthetic, Structural, and Catalytic Studies |
| Authors of publication | Stylianides, Neoklis; Danopoulos, Andreas A.; Pugh, David; Hancock, Fred; Zanotti-Gerosa, Antonio |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 23 |
| Pages of publication | 5627 |
| a | 23.344 ± 0.002 Å |
| b | 8.0765 ± 0.0004 Å |
| c | 19.6151 ± 0.0018 Å |
| α | 90° |
| β | 100.456 ± 0.003° |
| γ | 90° |
| Cell volume | 3636.8 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0727 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Weighted residual factors for all reflections included in the refinement | 0.1212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178626 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/37. |
4073757.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073757.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073757.cif |
| 46528 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073752, 4073753, 4073754, 4073755, 4073756, 4073757, 4073758, 4073759, 4073760 via cif-deposit CGI script. |
4073757.cif |
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Users of the data should acknowledge the original authors of the
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