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Information card for entry 2312354
Preview
| Coordinates | 2312354.cif |
|---|---|
| Structure factors | 2312354.hkl |
| Original IUCr paper | HTML |
| Formula | C40 H52 Cd3 Cl2 N4 O10 |
|---|---|
| Calculated formula | C40 H52 Cd3 Cl2 N4 O10 |
| Title of publication | Design and synthesis of diverse Cd<sup>2+</sup>/Zn<sup>2+</sup>/Cu<sup>2+</sup> coordination polymers tuned by dicarboxylate and auxiliary 1,4-bis(pyridin-4-ylmethyl)piperazine ligands with luminescence and Hirshfeld surface analyses. |
| Authors of publication | Jin, Nanhao; Liu, Yuqi; Dai, Siyu; Li, Yanghua; Wang, Xinying; Zhao, Yue; Liu, Xiaoming; Chen, Han; Luo, Huilong; Li, Wei |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 6 |
| a | 9.7566 ± 0.0007 Å |
| b | 10.8671 ± 0.0008 Å |
| c | 11.8861 ± 0.0009 Å |
| α | 67.067 ± 0.001° |
| β | 78.948 ± 0.001° |
| γ | 66.83 ± 0.001° |
| Cell volume | 1065.92 ± 0.14 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.025 |
| Residual factor for significantly intense reflections | 0.0219 |
| Weighted residual factors for significantly intense reflections | 0.0528 |
| Weighted residual factors for all reflections included in the refinement | 0.0545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287639 (current) | 2023-11-16 | cif/ hkl/ Adding structures of 2312354, 2312355, 2312356, 2312357 via cif-deposit CGI script. |
2312354.cif 2312354.hkl |
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Users of the data should acknowledge the original authors of the
structural data.