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Information card for entry 4081409
Preview
| Coordinates | 4081409.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | {[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyl} tin(II)selenophenolate |
|---|---|
| Formula | C28 H44 O6 P2 Se Sn |
| Calculated formula | C28 H44 O6 P2 Se Sn |
| SMILES | [Sn]12([Se]c3ccccc3)[O]=P(OC(C)C)(OC(C)C)c3c2c(P(=[O]1)(OC(C)C)OC(C)C)cc(c3)C(C)(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 | 12.0217 ± 0.0005 Å |
| b | 12.3852 ± 0.0005 Å |
| c | 13.9837 ± 0.0005 Å |
| α | 86.287 ± 0.003° |
| β | 65.992 ± 0.004° |
| γ | 62.447 ± 0.004° |
| Cell volume | 1666.52 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0323 |
| Residual factor for significantly intense reflections | 0.0224 |
| Weighted residual factors for significantly intense reflections | 0.0454 |
| Weighted residual factors for all reflections included in the refinement | 0.0464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.886 |
| 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. |
4081409.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4081409.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4081409.cif |
| 89223 | 2013-10-09 | cif/ Adding structures of 4081406, 4081407, 4081408, 4081409, 4081410, 4081411, 4081412, 4081413 via cif-deposit CGI script. |
4081409.cif |
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