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Information card for entry 7121871
Preview
| Coordinates | 7121871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H37 I4 N2 P |
|---|---|
| Calculated formula | C27 H37 I4 N2 P |
| Title of publication | Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine. |
| Authors of publication | Cicač-Hudi, M; Schlindwein, S. H.; Feil, C. M.; Nieger, M.; Gudat, D. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 55 |
| Pages of publication | 7645 - 7648 |
| a | 12.5136 ± 0.0007 Å |
| b | 16.67 ± 0.001 Å |
| c | 16.872 ± 0.0009 Å |
| α | 90° |
| β | 108.146 ± 0.003° |
| γ | 90° |
| Cell volume | 3344.5 ± 0.3 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0313 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0757 |
| Weighted residual factors for all reflections included in the refinement | 0.0771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121871.cif |
| 228053 | 2019-11-17 | cif/ Updating files of 7121868, 7121869, 7121870, 7121871, 7121872, 7121873 Original log message: Adding full bibliography for 7121868--7121873.cif. |
7121871.cif |
| 208596 | 2018-06-22 | cif/ Adding structures of 7121868, 7121869, 7121870, 7121871, 7121872, 7121873 via cif-deposit CGI script. |
7121871.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.