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Information card for entry 7202932
Preview
| Coordinates | 7202932.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H40 N4 O8 S8 Zn2 |
|---|---|
| Calculated formula | C20 H40 N4 O8 S8 Zn2 |
| SMILES | C1(N(CCO)CCO)=[S][Zn]2(S1)[S]=C(N(CCO)CCO)S[Zn]1([S]=C(N(CCO)CCO)S1)[S]=C(N(CCO)CCO)S2 |
| Title of publication | 3D-, 2D- and 1D-supramolecular structures of {Zn[S2CN(CH2CH2OH)R]2}2 and their {Zn[S2CN(CH2CH2OH)R]2}2(4,4′-bipyridine) adducts for R = CH2CH2OH, Me or Et: polymorphism and pseudo-polymorphism |
| Authors of publication | Benson, Ronald E.; Ellis, Carol A.; Lewis, Clairissa E.; Tiekink, Edward R.T. |
| Journal of publication | CrystEngComm |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 930 |
| a | 29.62 ± 0.015 Å |
| b | 8.458 ± 0.004 Å |
| c | 13.838 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3467 ± 3 Å3 |
| Cell temperature | 218 ± 2 K |
| Ambient diffraction temperature | 218 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7202932.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202932.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202932.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202932.cif |
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