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Information card for entry 7000309
Preview
| Coordinates | 7000309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C10 H18 N6 S2 |
|---|---|
| Calculated formula | C10 H18 N6 S2 |
| SMILES | S=C(NC)NN=C1C(=NNC(=S)NC)CCCC1 |
| Title of publication | Synthetic, structural and kinetic studies on the binding of cyclohexane-1,2-bis(4-methyl-3-thiosemicarbazone) to divalent metal ions (Co, Ni, Cu, Zn or Cd) |
| Authors of publication | Al-Karawi, Ahmed Jasim M.; Clegg, William; Harrington, Ross W.; Henderson, Richard A. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 3 |
| Pages of publication | 564 - 570 |
| a | 10.1389 ± 0.0007 Å |
| b | 8.7161 ± 0.0006 Å |
| c | 15.9291 ± 0.0011 Å |
| α | 90° |
| β | 99.967 ± 0.001° |
| γ | 90° |
| Cell volume | 1386.44 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7000309.cif |
| 179681 | 2016-03-24 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/03. |
7000309.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000309.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000309.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000309.cif |
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Users of the data should acknowledge the original authors of the
structural data.