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Information card for entry 2019421
Preview
| Coordinates | 2019421.cif |
|---|---|
| Structure factors | 2019421.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[(μ~2~-benzene-1,4-diacetato-κ^2^<i>O</i>:<i>O</i>){μ~2~-1,4-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}zinc(II)] monohydrate] |
|---|---|
| Formula | C22 H22 N6 O5 Zn |
| Calculated formula | C22 H22 N6 O5 Zn |
| Title of publication | A fivefold interpenetrating diamondoid three-dimensional metal‒organic framework constructed from benzene-1,4-diacetic acid and flexible triazole derivatives: poly[[(μ~2~-benzene-1,4-diacetato-κ^2^<i>O</i>:<i>O</i>){μ~2~-1,4-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^}zinc(II)] monohydrate] |
| Authors of publication | Shen, Hong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | 28 - 30 |
| a | 14.824 ± 0.002 Å |
| b | 17.755 ± 0.002 Å |
| c | 9.863 ± 0.0014 Å |
| α | 90° |
| β | 118.615 ± 0.002° |
| γ | 90° |
| Cell volume | 2278.9 ± 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 | 0.0504 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019421.cif 2019421.hkl |
| 180862 | 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 2/01/94. |
2019421.cif 2019421.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. |
2019421.cif 2019421.hkl |
| 104790 | 2014-03-11 | cif/ hkl/ Adding structures of 2019421 via cif-deposit CGI script. |
2019421.cif 2019421.hkl |
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