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Information card for entry 1544273
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| Coordinates | 1544273.cif |
|---|---|
| Structure factors | 1544273.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquatetrakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] dimethyl sulfoxide hexasolvate dihydrate |
|---|---|
| Formula | C28 H80 Co Cr2 N12 O14 S18 |
| Calculated formula | C28 H80 Co Cr2 N12 O14 S18 |
| SMILES | [Co]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([OH2])[OH2].[Cr](N=C=S)(N=C=S)(N=C=S)(N=C=S)([NH3])[NH3].[Cr](N=C=S)(N=C=S)(N=C=S)(N=C=S)([NH3])[NH3].S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.S(=O)(C)C.O.O |
| Title of publication | Diaquatetrakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[diamminetetrakis(thiocyanato-κ<i>N</i>)chromate(III)] dimethyl sulfoxide hexasolvate dihydrate |
| Authors of publication | Rusanova, Julia A.; Dyakonenko, Viktoriya V.; Semenaka, Valentina V. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 10 |
| Pages of publication | x161571 |
| a | 11.752 ± 0.003 Å |
| b | 12.212 ± 0.004 Å |
| c | 13.257 ± 0.003 Å |
| α | 85.95 ± 0.02° |
| β | 87.98 ± 0.02° |
| γ | 70.17 ± 0.02° |
| Cell volume | 1785.2 ± 0.9 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 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 | 0.1556 |
| Residual factor for significantly intense reflections | 0.0693 |
| Weighted residual factors for significantly intense reflections | 0.1616 |
| Weighted residual factors for all reflections included in the refinement | 0.1954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187994 (current) | 2016-11-06 | cif/ Updating files of 1544273 Original log message: Adding full bibliography for 1544273.cif. |
1544273.cif 1544273.hkl |
| 187280 | 2016-10-12 | cif/ hkl/ Adding structures of 1544273 via cif-deposit CGI script. |
1544273.cif 1544273.hkl |
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