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Information card for entry 4084528
Preview
| Coordinates | 4084528.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Ir- NHC COMPLEX |
|---|---|
| Formula | C38 H48 Cl2 Ir2 N4 S2 |
| Calculated formula | C38 H48 Cl2 Ir2 N4 S2 |
| Title of publication | Synthesis of Imidazole-Based Functionalized Mesoionic Carbene Complexes of Palladium: Comparison of Donor Properties and Catalytic Activity toward Suzuki–Miyaura Coupling |
| Authors of publication | Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 21 |
| Pages of publication | 6218 |
| a | 22.783 ± 0.005 Å |
| b | 7.0104 ± 0.0014 Å |
| c | 23.589 ± 0.005 Å |
| α | 90° |
| β | 96.87 ± 0.03° |
| γ | 90° |
| Cell volume | 3740.5 ± 1.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0616 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.1523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4084528.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4084528.cif |
| 127181 | 2014-11-12 | cif/ Updating files of 4084527, 4084528, 4084529, 4084530, 4084531, 4084532 Original log message: Adding full bibliography for 4084527--4084532.cif. |
4084528.cif |
| 125545 | 2014-10-18 | cif/ Adding structures of 4084527, 4084528, 4084529, 4084530, 4084531, 4084532 via cif-deposit CGI script. |
4084528.cif |
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Users of the data should acknowledge the original authors of the
structural data.