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Information card for entry 4324166
Preview
| Coordinates | 4324166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H43 B F10 N P |
|---|---|
| Calculated formula | C40 H43 B F10 N P |
| SMILES | [B](P(C1CCCCC1)C1CCCCC1)([n]1ccc(cc1)C(C)(C)C)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(ccccc1)C |
| 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 | 9.8554 ± 0.0005 Å |
| b | 12.3799 ± 0.0006 Å |
| c | 16.473 ± 0.0008 Å |
| α | 72.596 ± 0.002° |
| β | 78.921 ± 0.002° |
| γ | 86.032 ± 0.002° |
| Cell volume | 1881.95 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0762 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.1327 |
| 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 |
|---|---|---|---|
| 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. |
4324166.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. |
4324166.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324166.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4324166.cif |
| 24457 | 2011-08-23 | ../uploads/cif-deposit/cod/cif Adding structures of 4324166 via cif-deposit CGI script. |
4324166.cif |
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Users of the data should acknowledge the original authors of the
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