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Information card for entry 7705041
Preview
| Coordinates | 7705041.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C102 H89 B2 Cl F30 N4 Se2 |
|---|---|
| Calculated formula | C102 H89 B2 Cl F30 N4 Se2 |
| Title of publication | Chalcogen complexes of anionic N-heterocyclic carbenes. |
| Authors of publication | Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 38 |
| Pages of publication | 13207 - 13217 |
| a | 12.56245 ± 0.00006 Å |
| b | 26.01067 ± 0.00013 Å |
| c | 29.40849 ± 0.00013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9609.45 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1339 |
| Weighted residual factors for all reflections included in the refinement | 0.1346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7705041.cif |
| 258869 | 2020-11-06 | cif/ Updating files of 7705040, 7705041, 7705042, 7705043, 7705044, 7705045, 7705046, 7705047, 7705048, 7705049, 7705050 Original log message: Adding full bibliography for 7705040--7705050.cif. |
7705041.cif |
| 255151 | 2020-08-07 | cif/ Adding structures of 7705040, 7705041, 7705042, 7705043, 7705044, 7705045, 7705046, 7705047, 7705048, 7705049, 7705050 via cif-deposit CGI script. |
7705041.cif |
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Users of the data should acknowledge the original authors of the
structural data.