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Information card for entry 7031748
Preview
| Coordinates | 7031748.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H53 Cl N2 Si |
|---|---|
| Calculated formula | C46 H53 Cl N2 Si |
| Title of publication | Synthesis and structural investigation of R2Si (R = Me, Ph) bridged di-N-heterocyclic carbenes. |
| Authors of publication | Ghadwal, Rajendra S.; Reichmann, Sven O.; Carl, Elena; Herbst-Irmer, Regine |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 36 |
| Pages of publication | 13704 - 13710 |
| a | 10.9 ± 0.002 Å |
| b | 11.162 ± 0.002 Å |
| c | 18.612 ± 0.003 Å |
| α | 78.13 ± 0.02° |
| β | 79.3 ± 0.03° |
| γ | 65.94 ± 0.02° |
| Cell volume | 2010.3 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0965 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7031748.cif |
| 180023 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17. |
7031748.cif |
| 123463 | 2014-09-08 | cif/ Updating files of 7031746, 7031747, 7031748, 7031749 Original log message: Adding full bibliography for 7031746--7031749.cif. |
7031748.cif |
| 120772 | 2014-07-25 | cif/ Adding structures of 7031746, 7031747, 7031748, 7031749 via cif-deposit CGI script. |
7031748.cif |
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Users of the data should acknowledge the original authors of the
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