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Information card for entry 2018608
Preview
| Coordinates | 2018608.cif |
|---|---|
| Structure factors | 2018608.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[(μ~2~-benzene-1,4-diacetato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]\ zinc(II)] |
|---|---|
| Formula | C20 H24 N6 O4 Zn |
| Calculated formula | C20 H24 N6 O4 Zn |
| Title of publication | A fivefold interpenetrating diamond-like three-dimensional metal‒organic framework: poly[(μ~2~-benzene-1,4-diacetato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]zinc(II)] |
| Authors of publication | Wang, Jun; Xu, Xiao-Juan; Tao, Jian-Qing; Tan, Chun-Yun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | m309 - m311 |
| a | 16.203 ± 0.002 Å |
| b | 5.9721 ± 0.0009 Å |
| c | 22.156 ± 0.003 Å |
| α | 90° |
| β | 99.223 ± 0.002° |
| γ | 90° |
| Cell volume | 2116.2 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0496 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0897 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180855 (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 2/01/86. |
2018608.cif 2018608.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. |
2018608.cif 2018608.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018608.cif 2018608.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. | 2018608.cif 2018608.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018608.cif 2018608.hkl |
| 69728 | 2012-12-21 | cif/ Adding structures of 2018608 via cif-deposit CGI script. |
2018608.cif |
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Users of the data should acknowledge the original authors of the
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