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Information card for entry 1563846
Preview
| Coordinates | 1563846.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H24 N6 O4 |
|---|---|
| Calculated formula | C30 H24 N6 O4 |
| SMILES | c1cc(ccn1)NC(=O)Nc1ccccc1Oc1ccccc1Oc1ccccc1NC(=O)Nc1ccncc1 |
| Title of publication | Synthesis and crystal structures of metallomacrocyclic and helical Hg(II) complexes with two bis(pyridylurea) ligands |
| Authors of publication | Huang, Chao; Yang, Jin; Chen, Jin-Lian; Chen, Dong-Mei; Zhu, Bi-Xue |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2018 |
| Journal volume | 483 |
| Pages of publication | 252 - 257 |
| a | 14.3314 ± 0.0014 Å |
| b | 14.7603 ± 0.0014 Å |
| c | 12.1194 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2563.7 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0612 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266864 (current) | 2021-07-01 | cif/ Adding structures of 1563843, 1563844, 1563845, 1563846 via cif-deposit CGI script. |
1563846.cif |
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Users of the data should acknowledge the original authors of the
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