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Information card for entry 7113888
Preview
| Coordinates | 7113888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H10 B2 F15 P S |
|---|---|
| Calculated formula | C20 H10 B2 F15 P S |
| SMILES | [S](C)(C)[BH2][PH2][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | B(C6F5)3-catalyzed formation of B‒P bonds by dehydrocoupling of phosphine‒boranes |
| Authors of publication | Denis, Jean-Marc; Forintos, Henrietta; Szelke, Helga; Toupet, Loic; Pham, Thi-Nhàn; Madec, Pierre-Jean; Gaumont, Annie-Claude |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 1 |
| Pages of publication | 54 - 55 |
| a | 9.6926 ± 0.0004 Å |
| b | 10.6562 ± 0.0005 Å |
| c | 12.3789 ± 0.0007 Å |
| α | 64.353 ± 0.002° |
| β | 86.081 ± 0.002° |
| γ | 84.137 ± 0.003° |
| Cell volume | 1146.16 ± 0.1 Å3 |
| Cell temperature | 110 ± 1 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0718 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1156 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103616 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209784 (current) | 2018-08-16 | cif/7/ Updating bibliography in entries 7103616-7103618, 7113888-7113890. Marking entries 7113888-7113890 as duplicates of entries 7103616-7103618. |
7113888.cif |
| 180252 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38. |
7113888.cif |
| 132197 | 2015-02-21 | cif/7/11/ (antanas@koala.ibt.lt) Updating bibliography for CIFs 7113888, 7113889, 7113890. |
7113888.cif |
| 115329 | 2014-06-03 | cif/ Adding structures of 7113888, 7113889, 7113890 via cif-deposit CGI script. |
7113888.cif |
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