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Information card for entry 2239444
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| Coordinates | 2239444.cif |
|---|---|
| Structure factors | 2239444.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Chloridobis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)cobalt(III) diamminetetrakis(thiocyanato-κ<i>N</i>)cromate(III) |
|---|---|
| Formula | C9 H22 Cl Co Cr N11 S5 |
| Calculated formula | C9 H22 Cl Co Cr N11 S5 |
| SMILES | C1C[NH2][Co]2([NH2]1)([NH2]CC[NH2]2)(N=C=S)Cl.C(=N[Cr](N=C=S)(N=C=S)(N=C=S)([NH3])[NH3])=S |
| Title of publication | <i>trans</i>-Chloridobis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)cobalt(III) diamminetetrakis(thiocyanato-κ<i>N</i>)cromate(III) |
| Authors of publication | Rusanova, Julia A.; Semenaka, Valentyna V.; Zubatyuk, Roman I. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | m110 - m111 |
| a | 8.829 ± 0.0015 Å |
| b | 10.745 ± 0.003 Å |
| c | 13.275 ± 0.003 Å |
| α | 106.98 ± 0.02° |
| β | 93.131 ± 0.017° |
| γ | 90.646 ± 0.017° |
| Cell volume | 1202.2 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0754 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1325 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239444.cif 2239444.hkl |
| 181313 | 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 2/23/94. |
2239444.cif 2239444.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. |
2239444.cif 2239444.hkl |
| 110727 | 2014-04-19 | cif/ hkl/ Adding structures of 2239444 via cif-deposit CGI script. |
2239444.cif 2239444.hkl |
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Users of the data should acknowledge the original authors of the
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