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Information card for entry 2230965
Preview
| Coordinates | 2230965.cif |
|---|---|
| Structure factors | 2230965.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{μ-1-[(2-ethyl-1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>- benzotriazole}bis(iodidocadmium) |
|---|---|
| Formula | C24 H26 Cd2 I4 N10 |
| Calculated formula | C24 H26 Cd2 I4 N10 |
| SMILES | I[Cd]1([n]2c3c(cccc3)n(Cn3cc[n](c3CC)[Cd](I)(I)[n]3c4c(cccc4)n(Cn4cc[n]1c4CC)n3)n2)I |
| Title of publication | Bis{μ-1-[(2-ethyl-1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzotriazole}bis(iodidocadmium) |
| Authors of publication | Wang, Xia; Niu, Jun-long |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m882 |
| a | 7.8323 ± 0.0004 Å |
| b | 10.0657 ± 0.0006 Å |
| c | 11.2335 ± 0.0007 Å |
| α | 78.849 ± 0.005° |
| β | 86.02 ± 0.005° |
| γ | 77.538 ± 0.005° |
| Cell volume | 848.08 ± 0.09 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0581 |
| Weighted residual factors for all reflections included in the refinement | 0.0613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181231 (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 2/23/09. |
2230965.cif 2230965.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. |
2230965.cif 2230965.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230965.cif 2230965.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. | 2230965.cif 2230965.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230965.cif 2230965.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230965.cif 2230965.hkl |
| 23295 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230965 via cif-deposit CGI script. |
2230965.cif |
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Users of the data should acknowledge the original authors of the
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