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Information card for entry 4085587
Preview
| Coordinates | 4085587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | compound 1 |
|---|---|
| Formula | C17 H19 Br Cl3 P |
| Calculated formula | C17 H19 Br Cl3 P |
| SMILES | C1(c2c(c3c1cccc3)cccc2)[P+](C)(C)C.C(Cl)(Cl)Cl.[Br-] |
| Title of publication | Fluorenylidene-Functionalized Lithium Phosphonium Di- and Triylides |
| Authors of publication | Schröder, Fabian G.; Sundermeyer, Jörg |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 6 |
| Pages of publication | 1017 - 1020 |
| a | 12.8898 ± 0.0004 Å |
| b | 13.7001 ± 0.0004 Å |
| c | 21.7692 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3844.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b n a |
| Hall space group symbol | -P 2ac 2b |
| Residual factor for all reflections | 0.045 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0646 |
| Weighted residual factors for all reflections included in the refinement | 0.068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71069 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. |
4085587.cif |
| 209803 | 2018-08-16 | cif/4/08/ Updating bibliography in entries 4085587-4085590, 4085648-4085651. Marking entries 4085648-4085651 as duplicates of entries 4085587-4085590. |
4085587.cif |
| 178744 | 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 4/08/55. |
4085587.cif |
| 134851 | 2015-04-04 | cif/ Updating files of 4085587, 4085588, 4085589, 4085590 Original log message: Adding full bibliography for 4085587--4085590.cif. |
4085587.cif |
| 133053 | 2015-03-05 | cif/ Adding structures of 4085587, 4085588, 4085589, 4085590 via cif-deposit CGI script. |
4085587.cif |
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Users of the data should acknowledge the original authors of the
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