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Information card for entry 2019613
Preview
| Coordinates | 2019613.cif |
|---|---|
| Structure factors | 2019613.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[bis(μ~2~-benzene-1,4-dicarboxylato){μ~4~-<i>N</i>^1^,<i>N</i>^3^,<i>N</i>^5^-tris[(pyridin-3-yl)methyl]benzene-1,3,5-tricarboxamide}dizinc(II)] 0.22-hydrate] |
|---|---|
| Formula | C43 H34 N6 O12 Zn2 |
| Calculated formula | C43 H32 N6 O12 Zn2 |
| Title of publication | An acylamide metal‒organic framework with an unprecedented four-connecting trinodal topology and amide oxygen coordination |
| Authors of publication | Li, Jian-Qiang; Wu, Xiao-Liu; Liu, Shu-Juan; Luo, Ming-Biao |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| a | 10.6904 ± 0.0004 Å |
| b | 13.9661 ± 0.0006 Å |
| c | 15.2652 ± 0.0006 Å |
| α | 69.182 ± 0.002° |
| β | 72.346 ± 0.002° |
| γ | 80.313 ± 0.002° |
| Cell volume | 2025.33 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0476 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019613.cif 2019613.hkl |
| 180864 | 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 2/01/96. |
2019613.cif 2019613.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. |
2019613.cif 2019613.hkl |
| 119002 | 2014-07-05 | cif/ hkl/ Adding structures of 2019613 via cif-deposit CGI script. |
2019613.cif 2019613.hkl |
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