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Information card for entry 7204640
Preview
| Coordinates | 7204640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H15 Cr N12 O4 S |
|---|---|
| Calculated formula | C18 H12 Cr N12 O4 S |
| SMILES | [Cr]123([n]4c(c5[n]1ccn5)ncc4)([n]1ccnc1c1[n]3ccn1)[n]1c(c3[n]2ccn3)ncc1.S(=O)(=O)([O-])[O-] |
| Title of publication | A (10,3)-b net by sulfate hydrogen-bonded biimidazolate complexes |
| Authors of publication | Krister Larsson; Lars Öhrström |
| Journal of publication | CrystEngComm |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 38 |
| Pages of publication | 222 - 225 |
| a | 12.8274 ± 0.0007 Å |
| b | 12.8274 ± 0.0007 Å |
| c | 14.2567 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2345.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 80 |
| Hermann-Mauguin space group symbol | I 41 |
| Hall space group symbol | I 4bw |
| Residual factor for all reflections | 0.0707 |
| Residual factor for significantly intense reflections | 0.0692 |
| Weighted residual factors for significantly intense reflections | 0.1969 |
| Weighted residual factors for all reflections included in the refinement | 0.2001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.924 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7204640.cif |
| 180377 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/46. |
7204640.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204640.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204640.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7204640.cif |
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Users of the data should acknowledge the original authors of the
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