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Information card for entry 2020413
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| Coordinates | 2020413.cif |
|---|---|
| Structure factors | 2020413.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[bis(μ~3~-benzene-1,2-dicarboxylato)[μ~2~-1,4-bis(pyridin-3-ylmethoxy)benzene]dicadmium(II)] |
|---|---|
| Formula | C17 H12 Cd N O5 |
| Calculated formula | C17 H12 Cd N O5 |
| Title of publication | The crystal structure and photocatalytic properties of a three-dimensional cadmium(II) metal‒organic framework: poly[bis(μ~3~-benzene-1,2-dicarboxylato)[μ~2~-1,4-bis(pyridin-3-ylmethoxy)benzene]dicadmium(II)] |
| Authors of publication | Yu, Cai-Xia; Gao, Yan-Ping; Cui, Xiao-Qing; Guo, Meng-Jiao; Liu, Lei-Lei |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 174 - 178 |
| a | 19.49 ± 0.004 Å |
| b | 9.985 ± 0.002 Å |
| c | 15.54 ± 0.003 Å |
| α | 90° |
| β | 96.25 ± 0.03° |
| γ | 90° |
| Cell volume | 3006.2 ± 1.1 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 | 0.0202 |
| Residual factor for significantly intense reflections | 0.0188 |
| Weighted residual factors for significantly intense reflections | 0.0485 |
| Weighted residual factors for all reflections included in the refinement | 0.0499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181874 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/04 |
2020413.cif 2020413.hkl |
| 181472 | 2016-04-04 | cif/ Updating files of 2020413 Original log message: Adding full bibliography for 2020413.cif. |
2020413.cif 2020413.hkl |
| 176251 | 2016-02-07 | cif/ hkl/ Adding structures of 2020413 via cif-deposit CGI script. |
2020413.cif 2020413.hkl |
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Users of the data should acknowledge the original authors of the
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