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Information card for entry 7229746
Preview
| Coordinates | 7229746.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58.5 H55 Cu Dy F30 N4 O16 |
|---|---|
| Calculated formula | C55 H47 Cu Dy F30 N4 O16 |
| SMILES | [Dy]123(ON4C(=N(=O)C(C)(C)C4(C)C)c4ccc(OCC)cc4)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)[O]=N1=C(N(O[Cu]23(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)C(C1(C)C)(C)C)c1ccc(OCC)cc1 |
| Title of publication | Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties |
| Authors of publication | Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 4 |
| Pages of publication | 420 |
| a | 21.813 ± 0.004 Å |
| b | 23.683 ± 0.005 Å |
| c | 28.76 ± 0.006 Å |
| α | 90° |
| β | 100.81 ± 0.03° |
| γ | 90° |
| Cell volume | 14594 ± 5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1448 |
| Weighted residual factors for all reflections included in the refinement | 0.1606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228993 (current) | 2019-11-17 | cif/ Updating files of 7229746, 7229747, 7229748, 7229749, 7229750, 7229751, 7229752, 7229753 Original log message: Adding full bibliography for 7229746--7229753.cif. |
7229746.cif |
| 206489 | 2018-02-18 | cif/7 Fixing some Z values and formulae |
7229746.cif |
| 204281 | 2017-12-15 | cif/ Adding structures of 7229746, 7229747, 7229748, 7229749, 7229750, 7229751, 7229752, 7229753 via cif-deposit CGI script. |
7229746.cif |
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