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Information card for entry 2241374
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| Coordinates | 2241374.cif |
|---|---|
| Structure factors | 2241374.hkl |
| Original IUCr paper | HTML |
| Common name | sjfbk44 |
|---|---|
| Chemical name | <i>fac</i>-Tris[1-oxopyridine-2-thiolato(1-)]silicon(IV) chloride chloroform-<i>d</i>~1~ disolvate |
| Formula | C17 H12 Cl7 D2 N3 O3 S3 Si |
| Calculated formula | C17 H12 Cl7 D2 N3 O3 S3 Si |
| SMILES | c12ccccn1=[O][Si]13(S2)([O]=n2c(cccc2)S1)[O]=n1c(cccc1)S3.C([2H])(Cl)(Cl)Cl.C([2H])(Cl)(Cl)Cl.[Cl-] |
| Title of publication | Crystal structures of tris[1-oxopyridine-2-olato(1{-})]silicon(IV) chloride chloroform-<i>d</i>~1~ disolvate, tris[1-oxopyridine-2-olato(1{-})]silicon(IV) chloride acetonitrile unquantified solvate, and <i>fac</i>-tris[1-oxopyridine-2-thiolato(1{-})]silicon(IV) chloride chloroform-<i>d</i>~1~ disolvate |
| Authors of publication | Kraft, Bradley M.; Brennessel, William W.; Ryan, Amy E.; Benjamin, Candace K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | 1531 - 1535 |
| a | 13.9483 ± 0.0012 Å |
| b | 13.9483 ± 0.0012 Å |
| c | 13.9483 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2713.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 K |
| Number of distinct elements | 8 |
| Space group number | 198 |
| Hermann-Mauguin space group symbol | P 21 3 |
| Hall space group symbol | P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241374.cif 2241374.hkl |
| 170606 | 2015-11-29 | cif/ hkl/ Adding structures of 2241372, 2241373, 2241374 via cif-deposit CGI script. |
2241374.cif 2241374.hkl |
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