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Information card for entry 7203221
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| Coordinates | 7203221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | hexaamminecobalt(iii) dichloride selenocaynide |
|---|---|
| Chemical name | hexaamminecobalt(III) dichloride selenocaynide |
| Formula | C H18 Cl2 Co N7 Se |
| Calculated formula | C H18 Cl2 Co N7 Se |
| SMILES | C(#N)[Se-].[NH3][Co]([NH3])([NH3])([NH3])([NH3])[NH3].[Cl-].[Cl-] |
| Title of publication | ‘Rings and rectangles’ mediated through weak interactions in ionic solids: Synthesis and packing analysis of [Co(NH3)6]Cl2SeCN and [Co(NH3)6]3Cl4(N3)5 in the crystalline state |
| Authors of publication | Pal Sharma, Raj; Bala, Ritu; Sharma, Rajni; Venugopalan, Paloth |
| Journal of publication | CrystEngComm |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 3 |
| Pages of publication | 215 |
| a | 12.948 ± 0.001 Å |
| b | 7.334 ± 0.001 Å |
| c | 13.849 ± 0.001 Å |
| α | 90° |
| β | 115.35 ± 0.01° |
| γ | 90° |
| Cell volume | 1188.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0771 |
| Weighted residual factors for all reflections included in the refinement | 0.0785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180363 (current) | 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 7/20/32. |
7203221.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203221.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203221.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203221.cif |
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Users of the data should acknowledge the original authors of the
structural data.