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Information card for entry 2240596
Preview
| Coordinates | 2240596.cif |
|---|---|
| Structure factors | 2240596.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[<i>trans</i>-(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)bis(thiocyanato-κ<i>N</i>)chromium(III)] tetrachloridozincate |
|---|---|
| Formula | C24 H48 Cl4 Cr2 N12 S4 Zn |
| Calculated formula | C24 H48 Cl4 Cr2 N12 S4 Zn |
| SMILES | C1CC[NH]2[Cr]34([NH]1CC[NH]4CCC[NH]3CC2)(N=C=S)N=C=S.C1[NH]2[Cr]34(N=C=S)([NH](CC[NH]4CCC[NH]3C1)CCC2)N=C=S.[Zn](Cl)(Cl)([Cl-])[Cl-] |
| Title of publication | Crystal structure of bis[<i>trans</i>-(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)bis(thiocyanato-κ<i>N</i>)chromium(III)] tetrachloridozincate from synchrotron data |
| Authors of publication | Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | 540 - 543 |
| a | 7.999 ± 0.0016 Å |
| b | 16.532 ± 0.003 Å |
| c | 15.43 ± 0.003 Å |
| α | 90° |
| β | 101.36 ± 0.03° |
| γ | 90° |
| Cell volume | 2000.5 ± 0.7 Å3 |
| Cell temperature | 260 ± 2 K |
| Ambient diffraction temperature | 260 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0266 |
| Residual factor for significantly intense reflections | 0.0251 |
| Weighted residual factors for significantly intense reflections | 0.0709 |
| Weighted residual factors for all reflections included in the refinement | 0.0716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.61 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240596.cif 2240596.hkl |
| 136388 | 2015-05-13 | cif/ hkl/ Adding structures of 2240596 via cif-deposit CGI script. |
2240596.cif 2240596.hkl |
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Users of the data should acknowledge the original authors of the
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