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Information card for entry 2230901
Preview
| Coordinates | 2230901.cif |
|---|---|
| Structure factors | 2230901.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[chloridocadmium(II)]bis{μ-1-[(2-ethyl-1<i>H</i>- imidazol-1-yl)methyl]-1<i>H</i>-benzotriazole}[chloridocadmium(II)]di- μ-chlorido] |
|---|---|
| Formula | C12 H13 Cd Cl2 N5 |
| Calculated formula | C12 H13 Cd Cl2 N5 |
| SMILES | [Cd]12(Cl)([Cl][Cd]3(Cl)([Cl]2)[n]2nn(c4c2cccc4)Cn2cc[n](c2CC)[Cd](Cl)(Cl)[n]2nn(c4c2cccc4)Cn2cc[n]3c2CC)[n]2nn(c3c2cccc3)Cn2cc[n](c2CC)[Cd](Cl)(Cl)[n]2nn(c3c2cccc3)Cn2cc[n]1c2CC |
| Title of publication | <i>catena</i>-Poly[[chloridocadmium(II)]bis{μ-1-[(2-ethyl-1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzotriazole}[chloridocadmium(II)]di-μ-chlorido] |
| Authors of publication | Wang, Xia; Shi, Xian-Ju; Yang, Huai-Xia; Feng, Hu; Liu, Pan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m846 |
| a | 7.6055 ± 0.0006 Å |
| b | 9.7027 ± 0.0011 Å |
| c | 10.3144 ± 0.001 Å |
| α | 74.431 ± 0.009° |
| β | 81.609 ± 0.007° |
| γ | 87.72 ± 0.008° |
| Cell volume | 725.36 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0447 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| 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. |
2230901.cif 2230901.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. |
2230901.cif 2230901.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230901.cif 2230901.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. | 2230901.cif 2230901.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230901.cif 2230901.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230901.cif 2230901.hkl |
| 23226 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230901 via cif-deposit CGI script. |
2230901.cif |
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Users of the data should acknowledge the original authors of the
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