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Information card for entry 2236824
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| Coordinates | 2236824.cif |
|---|---|
| Structure factors | 2236824.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ~2~-ethanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro- 1<i>H</i>-1,2,4-triazolido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido- tetratin(IV) |
|---|---|
| Formula | C18 H42 N6 O4 S2 Sn4 |
| Calculated formula | C18 H42 N6 O4 S2 Sn4 |
| SMILES | C[Sn]12(C)[O]3[Sn](C)(C)(N4C(=S)N(C=N4)C)[O](CC)[Sn]3(C)(C)[O]1[Sn](C)(C)(N1C(=S)N(C=N1)C)[O]2CC |
| Title of publication | Di-μ~2~-ethanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido-tetratin(IV) |
| Authors of publication | Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1545 |
| a | 9.3965 ± 0.0004 Å |
| b | 17.8939 ± 0.0007 Å |
| c | 9.9084 ± 0.0004 Å |
| α | 90° |
| β | 103.036 ± 0.004° |
| γ | 90° |
| Cell volume | 1623.06 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0323 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0614 |
| Weighted residual factors for all reflections included in the refinement | 0.0653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181290 (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 2/23/68. |
2236824.cif 2236824.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. |
2236824.cif 2236824.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236824.cif 2236824.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. | 2236824.cif 2236824.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236824.cif 2236824.hkl |
| 71074 | 2013-01-18 | cif/ Adding structures of 2236824 via cif-deposit CGI script. |
2236824.cif |
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Users of the data should acknowledge the original authors of the
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