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Information card for entry 2234060
Preview
| Coordinates | 2234060.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[ammonium (cadmium-tri-μ-thiocyanato-κ^4^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>)‒ 1,4,10,13,16-hexaoxacyclooctadecane (1/1)] |
|---|---|
| Formula | C15 H28 Cd N4 O6 S3 |
| Calculated formula | C15 H28 Cd N4 O6 S3 |
| SMILES | [Cd]12(SC#N)(SC#N)(N=C=S)SC#[N][Cd](SC#[N]1)SC#[N]2.O1CCOCCOCCOCCOCCOCC1.O1CCOCCOCCOCCOCCOCC1.[NH4+].[NH4+] |
| Title of publication | <i>catena</i>-Poly[ammonium (cadmium-tri-μ-thiocyanato-κ^4^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>)‒1,4,10,13,16-hexaoxacyclooctadecane (1/1)] |
| Authors of publication | Ramesh, V.; Rajarajan, K.; Kumar, K. Sendil; Subashini, A.; NizamMohideen, M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m335 - m336 |
| a | 14.7568 ± 0.0006 Å |
| b | 15.4378 ± 0.0006 Å |
| c | 10.6383 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2423.54 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0137 |
| Residual factor for significantly intense reflections | 0.0133 |
| Weighted residual factors for significantly intense reflections | 0.034 |
| Weighted residual factors for all reflections included in the refinement | 0.0344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176798 (current) | 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. |
2234060.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234060.cif |
| 51327 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2234060 via cif-deposit CGI script. |
2234060.cif |
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