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Information card for entry 2020441
Preview
| Coordinates | 2020441.cif |
|---|---|
| Structure factors | 2020441.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dimethylbis{2-hydroxy-5-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-\ yl]benzoato}tin(IV) |
|---|---|
| Formula | C30 H28 N4 O6 Sn |
| Calculated formula | C30 H28 N4 O6 Sn |
| SMILES | [Sn]12(OC(=[O]1)c1c(O)ccc(N=Nc3ccc(cc3)C)c1)(OC(=[O]2)c1c(O)ccc(N=Nc2ccc(cc2)C)c1)(C)C |
| Title of publication | π‒π stacking motifs in dialkylbis{5-[(<i>E</i>)-2-aryldiazen-1-yl]-2-hydroxybenzoato}tin(IV) complexes |
| Authors of publication | Linden, Anthony; Basu Baul, Tushar S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 313 - 325 |
| a | 10.1883 ± 0.0001 Å |
| b | 12.9209 ± 0.0001 Å |
| c | 23.0447 ± 0.0002 Å |
| α | 102.352 ± 0.0004° |
| β | 95.2584 ± 0.0004° |
| γ | 104.153 ± 0.0005° |
| Cell volume | 2840.09 ± 0.04 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 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 | 0.0911 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182542 (current) | 2016-05-04 | cif/ Updating files of 2020441, 2020442 Original log message: Adding full bibliography for 2020441--2020442.cif. |
2020441.cif 2020441.hkl |
| 181874 | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/04 |
2020441.cif 2020441.hkl |
| 179283 | 2016-03-23 | cif/ hkl/ Adding structures of 2020441, 2020442 via cif-deposit CGI script. |
2020441.cif 2020441.hkl |
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Users of the data should acknowledge the original authors of the
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