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Information card for entry 1542464
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| Coordinates | 1542464.cif |
|---|---|
| Structure factors | 1542464.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(<i>N</i>-benzyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(pyridine-κ<i>N</i>)cadmium(II) |
|---|---|
| Formula | C23 H25 Cd N3 S4 |
| Calculated formula | C23 H25 Cd N3 S4 |
| SMILES | [Cd]12([S]=C(S1)N(C)Cc1ccccc1)([S]=C(S2)N(C)Cc1ccccc1)[n]1ccccc1 |
| Title of publication | Bis(<i>N</i>-benzyl-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(pyridine-κ<i>N</i>)cadmium(II) |
| Authors of publication | Ehsan, Muhammad Ali; Mazhar, Muhammad; Tiekink, Edward R. T. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | x152429 |
| a | 8.9361 ± 0.0006 Å |
| b | 14.832 ± 0.001 Å |
| c | 18.968 ± 0.0013 Å |
| α | 90° |
| β | 101.613 ± 0.001° |
| γ | 90° |
| Cell volume | 2462.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0234 |
| Residual factor for significantly intense reflections | 0.0202 |
| Weighted residual factors for significantly intense reflections | 0.0489 |
| Weighted residual factors for all reflections included in the refinement | 0.0508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542464.cif 1542464.hkl |
| 177512 | 2016-03-04 | cif/ Updating files of 1542464 Original log message: Adding full bibliography for 1542464.cif. |
1542464.cif 1542464.hkl |
| 176753 | 2016-02-19 | cif/1/54/ Fixing paper titles for structures from IUCrData journal. |
1542464.cif 1542464.hkl |
| 176520 | 2016-02-17 | cif/ hkl/ Adding structures of 1542464 via cif-deposit CGI script. |
1542464.cif 1542464.hkl |
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