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Information card for entry 2019962
Preview
| Coordinates | 2019962.cif |
|---|---|
| Structure factors | 2019962.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ~2~-3,3'-(diazenediyl)dibenzoato-κ^2^<i>O</i>:<i>O</i>']cadmium(II)] monohydrate] |
|---|---|
| Formula | C34 H38 Cd N10 O5 |
| Calculated formula | C34 H38 Cd N10 O5 |
| Title of publication | Synthesis, structure and properties of a new three-dimensional interpenetrated metal‒organic framework with 3,3'-azodibenzoic acid (H~2~azdc) and 1,4-bis(1<i>H</i>-imidazol-1-yl)butane (bimb): {[Cd(azdc)(bimb)~2~]·H~2~O}~<i>n~</i> |
| Authors of publication | Zhong, Ya-Qiang; Chen, Si-Chun; Zhang, Lei; Jing, Chu-Yue; Zhang, Kou-Lin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| a | 10.3202 ± 0.0013 Å |
| b | 14.3929 ± 0.0013 Å |
| c | 23.679 ± 0.003 Å |
| α | 90° |
| β | 99.157 ± 0.004° |
| γ | 90° |
| Cell volume | 3472.4 ± 0.7 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 | 0.076 |
| Residual factor for significantly intense reflections | 0.0644 |
| Weighted residual factors for significantly intense reflections | 0.1516 |
| Weighted residual factors for all reflections included in the refinement | 0.1561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.29 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019962.cif 2019962.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2019962.cif 2019962.hkl |
| 137437 | 2015-05-28 | cif/ hkl/ Adding structures of 2019962 via cif-deposit CGI script. |
2019962.cif 2019962.hkl |
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Users of the data should acknowledge the original authors of the
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