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Information card for entry 7016822
Preview
| Coordinates | 7016822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H60 Cl4 I2 N4 O4 Pd |
|---|---|
| Calculated formula | C66 H60 Cl4 I2 N4 O4 Pd |
| SMILES | C(Cl)Cl.C(Cl)Cl.[Pd]1(I)(I)=C2N(c3cc4c(OCc5ccccc5)c(c3)Cc3cc(N5C=CN(C=15)C)cc(c3OCc1ccccc1)Cc1cccc(c1OCc1ccccc1)Cc1cccc(c1OCc1ccccc1)C4)C=CN2C |
| Title of publication | Calix[4]arenes with one and two N-linked imidazolium units as precursors of N-heterocyclic carbene complexes. Coordination chemistry and use in Suzuki-Miyaura cross-coupling. |
| Authors of publication | Brenner, Eric; Matt, Dominique; Henrion, Mickaël; Teci, Matthieu; Toupet, Loïc |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 38 |
| Pages of publication | 9889 - 9898 |
| a | 13.2867 ± 0.0002 Å |
| b | 13.6636 ± 0.0002 Å |
| c | 19.0656 ± 0.0003 Å |
| α | 98.34 ± 0.001° |
| β | 94.964 ± 0.001° |
| γ | 117.181 ± 0.001° |
| Cell volume | 3000.2 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179872 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/68. |
7016822.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016822.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016822.cif |
| 28084 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016822, 7016823 via cif-deposit CGI script. |
7016822.cif |
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