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Information card for entry 4324161
Preview
| Coordinates | 4324161.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C24 H22 B F10 P |
|---|---|
| Calculated formula | C24 H22 B F10 P |
| SMILES | P(B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C1CCCCC1)C1CCCCC1 |
| Title of publication | Synthesis and Reactivity of the Phosphinoboranes R2PB(C6F5)2 |
| Authors of publication | Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 336 - 344 |
| a | 9.4503 ± 0.0013 Å |
| b | 10.453 ± 0.0014 Å |
| c | 13.7545 ± 0.0019 Å |
| α | 110.687 ± 0.001° |
| β | 99.036 ± 0.002° |
| γ | 95.566 ± 0.002° |
| Cell volume | 1238.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0901 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1837 |
| Weighted residual factors for all reflections included in the refinement | 0.2154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4324161.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4324161.cif |
| 179344 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/41. |
4324161.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324161.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4324161.cif |
| 24452 | 2011-08-23 | ../uploads/cif-deposit/cod/cif Adding structures of 4324161 via cif-deposit CGI script. |
4324161.cif |
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Users of the data should acknowledge the original authors of the
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