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Information card for entry 7111654
Preview
| Coordinates | 7111654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H84 As4 Bi4 Cl8 F12 O12 S4 |
|---|---|
| Calculated formula | C100 H84 As4 Bi4 Cl8 F12 O12 S4 |
| SMILES | [Bi]1234([As](c5ccccc5)(c5ccccc5)c5ccccc5)(Cl)[Cl][Bi]5([As](c6ccccc6)(c6ccccc6)c6ccccc6)(Cl)(Cl)OS(=[O]2)(=[O][Bi]26(OS(=[O]1)(=[O][Bi]([As](c1ccccc1)(c1ccccc1)c1ccccc1)([Cl]2)(Cl)(Cl)OS(=[O]6)(=[O]4)C(F)(F)F)C(F)(F)F)([As](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)OS(=[O]3)(=[O]5)C(F)(F)F)C(F)(F)F.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1 |
| Title of publication | Bismuthenium-pnictonium dications [R′BiPnR3]2+ (Pn = As, Sb) containing carbenoid bismuth centers and rare Bi‒Sb bonds |
| Authors of publication | Conrad, Eamonn; Burford, Neil; McDonald, Robert; Ferguson, Michael J. |
| Journal of publication | Chemical Communications |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 25 |
| Pages of publication | 4598 - 4600 |
| a | 11.4407 ± 0.0009 Å |
| b | 15.4984 ± 0.0013 Å |
| c | 18.1472 ± 0.0015 Å |
| α | 67.5168 ± 0.0009° |
| β | 74.1484 ± 0.0009° |
| γ | 76.214 ± 0.001° |
| Cell volume | 2827.5 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0331 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180230 (current) | 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 7/11/16. |
7111654.cif |
| 96718 | 2014-01-29 | cif/ Adding structures of 7111654, 7111655, 7111656, 7111657 via cif-deposit CGI script. |
7111654.cif |
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Users of the data should acknowledge the original authors of the
structural data.