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Information card for entry 2240344
Preview
| Coordinates | 2240344.cif |
|---|---|
| Structure factors | 2240344.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[<i>trans</i>-(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)chromium(III)] tetrachloridozincate |
|---|---|
| Formula | C12 H32 Cl4 Cr2 N12 S4 Zn |
| Calculated formula | C12 H32 Cl4 Cr2 N12 S4 Zn |
| SMILES | C1C[NH2][Cr]2([NH2]1)(N=C=S)([NH2]CC[NH2]2)N=C=S.C1C[NH2][Cr]2([NH2]1)([NH2]CC[NH2]2)(N=C=S)N=C=S.Cl[Zn](Cl)([Cl-])[Cl-] |
| Title of publication | Crystal structure of bis[<i>trans</i>-(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)chromium(III)] tetrachloridozincate from synchrotron data |
| Authors of publication | Moon, Dohyun; Choi, Jong-Ha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | 100 - 103 |
| a | 7.687 ± 0.0015 Å |
| b | 13.853 ± 0.003 Å |
| c | 14.56 ± 0.003 Å |
| α | 92.74 ± 0.03° |
| β | 92.76 ± 0.03° |
| γ | 90.21 ± 0.03° |
| Cell volume | 1546.9 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0182 |
| Residual factor for significantly intense reflections | 0.0175 |
| Weighted residual factors for significantly intense reflections | 0.0485 |
| Weighted residual factors for all reflections included in the refinement | 0.0486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.62998 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240344.cif 2240344.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240344.cif 2240344.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240344.cif 2240344.hkl |
| 129071 | 2014-12-26 | cif/ hkl/ Adding structures of 2240344 via cif-deposit CGI script. |
2240344.cif 2240344.hkl |
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Users of the data should acknowledge the original authors of the
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