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Information card for entry 4084531
Preview
| Coordinates | 4084531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C108 H100 B2 F8 I2 N4 P4 Pd2 S2 |
|---|---|
| Calculated formula | C108 H100 B2 F8 I2 N4 P4 Pd2 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 | 10.9241 ± 0.0012 Å |
| b | 40.137 ± 0.004 Å |
| c | 12.4472 ± 0.0013 Å |
| α | 90° |
| β | 114.91 ± 0.002° |
| γ | 90° |
| Cell volume | 4949.9 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.0674 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| 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. |
4084531.cif |
| 213925 | 2019-03-01 | cif/ Moved the _audit_creation_method data item out of the loop in entries 1508200, 1516032, 1517834, 1548517, 1548518, 1548519, 1548520, 1548521, 1548522, 2014597, 2216152, 2241692, 4078301, 4081819, 4084531, 4105795, 4331477, 4336091, 4503532, 4503533, 4503534, 4503535, 7004275, 7004276, 7004277, 7004278, 7004279, 7004280, 7015244, 7055771, 7103304, 7115802, 7115804, 7115805, 7115806, 7153370 7212801. |
4084531.cif |
| 178734 | 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 4/08/45. |
4084531.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. |
4084531.cif |
| 125545 | 2014-10-18 | cif/ Adding structures of 4084527, 4084528, 4084529, 4084530, 4084531, 4084532 via cif-deposit CGI script. |
4084531.cif |
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Users of the data should acknowledge the original authors of the
structural data.