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Information card for entry 2231894
Preview
| Coordinates | 2231894.cif |
|---|---|
| Structure factors | 2231894.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[(<i>E</i>)-(5-<i>tert</i>-butyl-2-hydroxyphenyl)diazenyl]benzoato}\ dimethyltin(IV) |
|---|---|
| Formula | C36 H40 N4 O6 Sn |
| Calculated formula | C36 H40 N4 O6 Sn |
| SMILES | C(=O)(c1c(cccc1)/N=N/c1c(O)ccc(c1)C(C)(C)C)O[Sn]1(OC(=[O]1)c1c(/N=N/c2c(O)ccc(c2)C(C)(C)C)cccc1)(C)C |
| Title of publication | Bis{2-[(<i>E</i>)-(5-<i>tert</i>-butyl-2-hydroxyphenyl)diazenyl]benzoato}dimethyltin(IV) |
| Authors of publication | Basu Baul, Tushar S.; Paul, Anup; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1383 - m1384 |
| a | 9.6298 ± 0.0001 Å |
| b | 31.8788 ± 0.0004 Å |
| c | 11.0963 ± 0.0001 Å |
| α | 90° |
| β | 93.502 ± 0.001° |
| γ | 90° |
| Cell volume | 3400.05 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181240 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/18. |
2231894.cif 2231894.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231894.cif 2231894.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231894.cif 2231894.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2231894.cif 2231894.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2231894.cif 2231894.hkl |
| 29154 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2231894 via cif-deposit CGI script. |
2231894.cif |
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Users of the data should acknowledge the original authors of the
structural data.