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Information card for entry 4081408
Preview
| Coordinates | 4081408.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H34 N2 S3 Sn |
|---|---|
| Calculated formula | C30 H34 N2 S3 Sn |
| SMILES | [Sn](Sc1ccccc1)(Sc1ccccc1)(Sc1ccccc1)c1c(CN(C)C)cccc1CN(C)C |
| Title of publication | Reactivity of Organotin(I) Dimers RSnSnR (R = 2,6-(Me2NCH2)2C6H3, 4-t-Bu-2,6-{P(O)(O-i-Pr)2}2C6H2) with Diaryl Dichalcogenides, ArEEAr (E = S, Se, Te; Ar = Ph, 2-C5H4N): Control of Secondary Sn···Sn Interactions by Intramolecular Coordination and Identity of the Aryl Chalcogenate |
| Authors of publication | Wagner, Michael; Dietz, Christina; Bouška, Marek; Dostál, Libor; Padĕlková, Zdeňka; Jambor, Roman; Jurkschat, Klaus |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 17 |
| Pages of publication | 4973 |
| a | 9.924 ± 0.0007 Å |
| b | 10.634 ± 0.0013 Å |
| c | 28.755 ± 0.003 Å |
| α | 99.536 ± 0.008° |
| β | 98.171 ± 0.006° |
| γ | 97.784 ± 0.008° |
| Cell volume | 2922.7 ± 0.5 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 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 | 0.076 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178703 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/14. |
4081408.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4081408.cif |
| 89223 | 2013-10-09 | cif/ Adding structures of 4081406, 4081407, 4081408, 4081409, 4081410, 4081411, 4081412, 4081413 via cif-deposit CGI script. |
4081408.cif |
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Users of the data should acknowledge the original authors of the
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