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Information card for entry 2018058
Preview
| Coordinates | 2018058.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Diammonium hexakis(thiocyanato-κ<i>N</i>)rhenate(IV) dimethyl sulfone tetrasolvate |
|---|---|
| Formula | C14 H32 N8 O8 Re S10 |
| Calculated formula | C14 H32 N8 O8 Re S10 |
| SMILES | C(=N[Re](N=C=S)(N=C=S)(N=C=S)(N=C=S)N=C=S)=S.CS(=O)(=O)C.CS(=O)(=O)C.[NH4+].CS(=O)(=O)C.CS(=O)(=O)C.[NH4+] |
| Title of publication | Diammonium hexakis(thiocyanato-κ<i>N</i>)rhenate(IV) dimethyl sulfone tetrasolvate |
| Authors of publication | Kochel, Andrzej; Hołyńska, Małgorzata |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m134 - m136 |
| a | 13.128 ± 0.003 Å |
| b | 9.493 ± 0.003 Å |
| c | 15.412 ± 0.004 Å |
| α | 90° |
| β | 113.57 ± 0.03° |
| γ | 90° |
| Cell volume | 1760.5 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0318 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for significantly intense reflections | 0.0555 |
| Weighted residual factors for all reflections included in the refinement | 0.0571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176760 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018058.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018058.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018058.cif |
| 20030 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2018058 via cif-deposit CGI script. |
2018058.cif |
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