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Information card for entry 2018119
Preview
| Coordinates | 2018119.cif |
|---|---|
| Structure factors | 2018119.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[(μ~3~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1- yl)butane]cadmium(II)] |
|---|---|
| Formula | C18 H20 Cd N6 O4 |
| Calculated formula | C18 H20 Cd N6 O4 |
| Title of publication | Poly[(μ~3~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]: self assembly into a three-dimensional supramolecular framework based on [Cd(μ~3~-benzene-1,4-diacetate)] double chains |
| Authors of publication | Wang, Jun; Tao, Jian-Qing; Xu, Xiao-Juan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m173 - m175 |
| a | 9.79 ± 0.0013 Å |
| b | 10.1129 ± 0.0013 Å |
| c | 11.2737 ± 0.0014 Å |
| α | 66.198 ± 0.002° |
| β | 87.935 ± 0.001° |
| γ | 69.418 ± 0.002° |
| Cell volume | 948.7 ± 0.2 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.0404 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.1206 |
| Weighted residual factors for all reflections included in the refinement | 0.1215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.215 |
| 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. |
2018119.cif 2018119.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. |
2018119.cif 2018119.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018119.cif 2018119.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. | 2018119.cif 2018119.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018119.cif 2018119.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2018119.cif 2018119.hkl |
| 22519 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018119 via cif-deposit CGI script. |
2018119.cif |
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