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Information card for entry 2233254
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| Coordinates | 2233254.cif |
|---|---|
| Structure factors | 2233254.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Bis(4-methylpiperazine-1-carbodithioato- κ^2^<i>S</i>,<i>S</i>')bis(pyridine-κ<i>N</i>)cadmium |
|---|---|
| Formula | C22 H32 Cd N6 S4 |
| Calculated formula | C22 H32 Cd N6 S4 |
| SMILES | S1[Cd]2([n]3ccccc3)([n]3ccccc3)([S]=C(N3CCN(CC3)C)S2)[S]=C1N1CCN(CC1)C |
| Title of publication | <i>cis</i>-Bis(4-methylpiperazine-1-carbodithioato-κ^2^<i>S</i>,<i>S</i>')bis(pyridine-κ<i>N</i>)cadmium |
| Authors of publication | Valarmathi, P.; Thirumaran, S.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m89 |
| a | 17.7065 ± 0.0007 Å |
| b | 8.7806 ± 0.0006 Å |
| c | 20.6171 ± 0.0008 Å |
| α | 90° |
| β | 122.276 ± 0.005° |
| γ | 90° |
| Cell volume | 2710.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0333 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0525 |
| Weighted residual factors for all reflections included in the refinement | 0.0567 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181254 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/32. |
2233254.cif 2233254.hkl |
| 176798 | 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. |
2233254.cif 2233254.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233254.cif 2233254.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233254.cif 2233254.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233254.cif 2233254.hkl |
| 32315 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233254 via cif-deposit CGI script. |
2233254.cif |
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Users of the data should acknowledge the original authors of the
structural data.