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Information card for entry 2241373
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| Coordinates | 2241373.cif |
|---|---|
| Structure factors | 2241373.hkl |
| Original IUCr paper | HTML |
| Common name | sjfbk49 |
|---|---|
| Chemical name | Tris[1-oxopyridine-2-olato(1-)]silicon(IV) chloride acetonitrile unknown solvate |
| Formula | C15 H12 Cl N3 O6 Si |
| Calculated formula | C15 H12 Cl N3 O6 Si |
| 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 | 6.8347 ± 0.0007 Å |
| b | 11.1232 ± 0.0012 Å |
| c | 13.1513 ± 0.0014 Å |
| α | 90.479 ± 0.002° |
| β | 93.269 ± 0.002° |
| γ | 102.356 ± 0.002° |
| Cell volume | 974.85 ± 0.18 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 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 | 0.0838 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1321 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2241373.cif 2241373.hkl |
| 170606 | 2015-11-29 | cif/ hkl/ Adding structures of 2241372, 2241373, 2241374 via cif-deposit CGI script. |
2241373.cif 2241373.hkl |
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Users of the data should acknowledge the original authors of the
structural data.