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Information card for entry 7219746
Preview
| Coordinates | 7219746.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H31 Cd2 Cl4 N8 O |
|---|---|
| Calculated formula | C37 H31 Cd2 Cl4 N8 O |
| SMILES | [Cd]12(Cl)(Cl)[n]3ccccc3[C@H](c3[n]1c(n1c3cccc1)c1[n]2cccc1)[C@@H]1c2[n]([Cd]3(Cl)(Cl)[n]4c1c1n(cccc1)c4c1[n]3cccc1)cccc2.OC.[Cd]12(Cl)(Cl)[n]3ccccc3[C@@H](c3[n]1c(n1c3cccc1)c1[n]2cccc1)[C@H]1c2[n]([Cd]3(Cl)(Cl)[n]4c1c1n(cccc1)c4c1[n]3cccc1)cccc2.OC |
| Title of publication | A series of temperature-dependent CdII-complexes containing an important family of N-rich heterocycles from in situ conversion of pyridine-type Schiff base |
| Authors of publication | Ou, Yan-Jun; Ding, Yu-Jia; Hong, Xu-Jia; Wei, Qin; Zheng, Zhi-Peng; Long, Yuhua; Cai, Prof. Yue-Peng; Yao, Xiangdong |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 24.137 ± 0.004 Å |
| b | 15.255 ± 0.004 Å |
| c | 23.41 ± 0.006 Å |
| α | 90° |
| β | 114.065 ± 0.005° |
| γ | 90° |
| Cell volume | 7871 ± 3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1484 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.0996 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180528 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/97. |
7219746.cif |
| 133068 | 2015-03-05 | cif/ Adding structures of 7219739, 7219740, 7219741, 7219742, 7219743, 7219744, 7219745, 7219746, 7219747, 7219748, 7219749 via cif-deposit CGI script. |
7219746.cif |
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Users of the data should acknowledge the original authors of the
structural data.