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Information card for entry 2237083
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| Coordinates | 2237083.cif |
|---|---|
| Structure factors | 2237083.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ-1,2,3,4-Tetrakis(pyridin-4-yl)butane- κ^2^<i>N</i>^1^:<i>N</i>^4^]bis[trimethyl(thiocyanato-κ<i>N</i>)tin(IV)] |
|---|---|
| Formula | C32 H40 N6 S2 Sn2 |
| Calculated formula | C32 H40 N6 S2 Sn2 |
| SMILES | C[Sn](C)(C)(N=C=S)[n]1ccc(cc1)C[C@H]([C@H](Cc1cc[n](cc1)[Sn](C)(C)(C)N=C=S)c1ccncc1)c1ccncc1 |
| Title of publication | [μ-1,2,3,4-Tetrakis(pyridin-4-yl)butane-κ^2^<i>N</i>^1^:<i>N</i>^4^]bis[trimethyl(thiocyanato-κ<i>N</i>)tin(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 | m1550 |
| a | 9.2959 ± 0.0008 Å |
| b | 9.721 ± 0.0007 Å |
| c | 10.2448 ± 0.0009 Å |
| α | 90.388 ± 0.007° |
| β | 94.381 ± 0.007° |
| γ | 103.646 ± 0.007° |
| Cell volume | 896.72 ± 0.13 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0701 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181292 (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 2/23/70. |
2237083.cif 2237083.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. |
2237083.cif 2237083.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237083.cif 2237083.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. | 2237083.cif 2237083.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. |
2237083.cif 2237083.hkl |
| 71362 | 2013-01-18 | cif/ Adding structures of 2237083 via cif-deposit CGI script. |
2237083.cif |
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Users of the data should acknowledge the original authors of the
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