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Information card for entry 2233250
Preview
| Coordinates | 2233250.cif |
|---|---|
| Structure factors | 2233250.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-di-2-pyridyl disulfide-κ^3^<i>N</i>,<i>S</i>:<i>N</i>')di-μ~3~-iodido- di-μ~2~-iodido-tetracopper(I) |
|---|---|
| Formula | C20 H16 Cu4 I4 N4 S4 |
| Calculated formula | C20 H16 Cu4 I4 N4 S4 |
| SMILES | c1cccc2[n]1[Cu]134[I][Cu]564[I]1[Cu]14([n]7ccccc7[S]3S2)[I]5[Cu]24([I]1)[n]1ccccc1S[S]2c1cccc[n]61 |
| Title of publication | Bis(μ-di-2-pyridyl disulfide-κ^3^<i>N</i>,<i>S</i>:<i>N</i>')di-μ~3~-iodido-di-μ~2~-iodido-tetracopper(I) |
| Authors of publication | Wang, Yu-Hong; Zhu, Xue-Hua |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m18 |
| a | 10.46 ± 0.006 Å |
| b | 14.434 ± 0.008 Å |
| c | 19.908 ± 0.012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3006 ± 3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.159 |
| Diffraction radiation wavelength | 0.71075 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. |
2233250.cif 2233250.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. |
2233250.cif 2233250.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233250.cif 2233250.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. | 2233250.cif 2233250.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233250.cif 2233250.hkl |
| 32311 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233250 via cif-deposit CGI script. |
2233250.cif |
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Users of the data should acknowledge the original authors of the
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