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Information card for entry 2018102
Preview
| Coordinates | 2018102.cif |
|---|---|
| Structure factors | 2018102.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-poly[diselanylbis(1,3-dimethyl-1<i>H</i>-imidazol-3-ium) [μ~3~-chlorido-tetra-μ~2~-chlorido-tricuprate(I)]] |
|---|---|
| Formula | C10 H16 Cl5 Cu3 N4 Se2 |
| Calculated formula | C10 H16 Cl5 Cu3 N4 Se2 |
| SMILES | [Se](c1n(C)cc[n+]1C)[Se]c1n(C)cc[n+]1C.[Se](c1n(C)cc[n+]1C)[Se]c1n(C)cc[n+]1C.[Cu]1[Cl][Cu]2[Cl]1[Cu]1([Cl]2)[Cl][Cu]2([Cl]1)[Cl][Cu]1[Cl]2[Cu]([Cl]1)(Cl)Cl |
| Title of publication | The diselanylbis(1,3-dimethyl-1<i>H</i>-imidazol-3-ium) dication stabilized by the polymeric <i>catena</i>-pentachloridotricuprate(I) anion |
| Authors of publication | Kimani, Martin M.; VanDerveer, Don; Brumaghim, Julia L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m208 - m210 |
| a | 12.238 ± 0.002 Å |
| b | 12.217 ± 0.002 Å |
| c | 14.123 ± 0.003 Å |
| α | 90° |
| β | 108.61 ± 0.03° |
| γ | 90° |
| Cell volume | 2001.1 ± 0.7 Å3 |
| Cell temperature | 168.15 K |
| Ambient diffraction temperature | 168.15 K |
| Number of distinct elements | 6 |
| 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 | 0.0546 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180850 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/81. |
2018102.cif 2018102.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018102.cif 2018102.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018102.cif 2018102.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. | 2018102.cif 2018102.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018102.cif 2018102.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2018102.cif 2018102.hkl |
| 22293 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018102 via cif-deposit CGI script. |
2018102.cif |
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Users of the data should acknowledge the original authors of the
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