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Information card for entry 2020399
Preview
| Coordinates | 2020399.cif |
|---|---|
| Structure factors | 2020399.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaquabis(1,10-phenanthroline)[μ~4~-4,4'-(1,4-phenylenedioxy)bis(benzene-1,2-dicarboxylato)]dicadmium(II)] dimethylformamide monosolvate] |
|---|---|
| Formula | C52 H44 Cd2 N6 O14 |
| Calculated formula | C52 H44 Cd2 N6 O14 |
| SMILES | [Cd]1234([OH2])([n]5ccccc5c5[n]2cccc5)OC(=[O]3)c2c(cc(cc2)Oc2ccc(cc2)Oc2cc(C(=O)[O-])c(C(=O)[O-])cc2)C(=[O]2)O[Cd]235([OH2])([n]2c(c6[n]5cccc6)cccc2)OC(=[O]3)c2c(C(=[O]4)O1)cc(cc2)Oc1ccc(cc1)Oc1cc(c(cc1)C(=[O]1)O[Cd]12([OH2])[n]1c(c3[n]2cccc3)cccc1)C(=[O]1)O[Cd]12([OH2])[n]1c(c3[n]2cccc3)cccc1.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C |
| Title of publication | Assembly of Zn^II^ and Cd^II^ coordination polymers based on a flexible multicarboxylate ligand and nitrogen-containing auxiliary ligands through a mixed-ligand synthetic strategy: syntheses, structures and fluorescence properties |
| Authors of publication | Lu, Ji-Tao; Meng, Dan-Dan; Meng, Qing-Guo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 2 |
| Pages of publication | 99 - 104 |
| a | 6.8275 ± 0.0004 Å |
| b | 12.7613 ± 0.0007 Å |
| c | 14.877 ± 0.0011 Å |
| α | 106.134 ± 0.006° |
| β | 101.602 ± 0.006° |
| γ | 97.496 ± 0.005° |
| Cell volume | 1195.55 ± 0.14 Å3 |
| Cell temperature | 250.01 ± 0.1 K |
| Ambient diffraction temperature | 250.01 ± 0.1 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 | 0.0349 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0672 |
| Weighted residual factors for all reflections included in the refinement | 0.0726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181873 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/03 |
2020399.cif 2020399.hkl |
| 177477 | 2016-03-04 | cif/ Updating files of 2020398, 2020399 Original log message: Adding full bibliography for 2020398--2020399.cif. |
2020399.cif 2020399.hkl |
| 174513 | 2016-01-16 | cif/ hkl/ Adding structures of 2020398, 2020399 via cif-deposit CGI script. |
2020399.cif 2020399.hkl |
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