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Information card for entry 7034828
Preview
| Coordinates | 7034828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H24 Cu Gd N5 O13 |
|---|---|
| Calculated formula | C22 H24 Cu Gd N5 O13 |
| SMILES | [Gd]123456(ON(=[O]2)=O)(ON(=[O]6)=O)([O](c2c6[O]4[Cu]47[N](=Cc8c(c([O]3C)ccc8)[O]17)[C@@H]1CCCC[C@H]1[N]4=Cc6ccc2)C)[O]=N(=[O]5)[O] |
| Title of publication | Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation. |
| Authors of publication | Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 24 |
| Pages of publication | 11191 - 11201 |
| a | 9.266 ± 0.0005 Å |
| b | 12.0433 ± 0.0007 Å |
| c | 12.1879 ± 0.0007 Å |
| α | 101.573 ± 0.002° |
| β | 95.303 ± 0.002° |
| γ | 90.449 ± 0.002° |
| Cell volume | 1326.25 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.96 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0582 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0793 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 143584 (current) | 2015-07-11 | cif/ Updating files of 7034824, 7034825, 7034826, 7034827, 7034828, 7034829, 7034830, 7034831, 7034832, 7034833, 7034834, 7034835, 7034836 Original log message: Adding full bibliography for 7034824--7034836.cif. |
7034828.cif |
| 135863 | 2015-05-09 | cif/ Adding structures of 7034824, 7034825, 7034826, 7034827, 7034828, 7034829, 7034830, 7034831, 7034832, 7034833, 7034834, 7034835, 7034836 via cif-deposit CGI script. |
7034828.cif |
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Users of the data should acknowledge the original authors of the
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