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Information card for entry 4063897
Preview
| Coordinates | 4063897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [sulfanediylbis(methanediylbenzene-2,1-diyl)]bis(diphenylbismuthane) |
|---|---|
| Formula | C38 H32 Bi2 S |
| Calculated formula | C38 H32 Bi2 S |
| SMILES | [Bi]1(S2([Bi](c3c(C2)cccc3)(c2ccccc2)c2ccccc2)Cc2c1cccc2)(c1ccccc1)c1ccccc1 |
| Title of publication | Hybrid Dibismuthines and Distibines: Preparation and Properties of Antimony and Bismuth Oxygen, Sulfur, and Nitrogen Donor Ligands |
| Authors of publication | Benjamin, Sophie L.; Karagiannidis, Louise; Levason, William; Reid, Gillian; Rogers, Michael C. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 4 |
| Pages of publication | 895 |
| a | 11.2692 ± 0.001 Å |
| b | 12.8951 ± 0.001 Å |
| c | 22.4136 ± 0.0015 Å |
| α | 90° |
| β | 101.793 ± 0.004° |
| γ | 90° |
| Cell volume | 3188.3 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0577 |
| Weighted residual factors for all reflections included in the refinement | 0.0608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178533 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/38. |
4063897.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063897.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063897.cif |
| 32713 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4063895, 4063896, 4063897, 4063898, 4063899, 4063900, 4063901, 4063902, 4063903 via cif-deposit CGI script. |
4063897.cif |
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Users of the data should acknowledge the original authors of the
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