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Information card for entry 7036630
Preview
| Coordinates | 7036630.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H39 N8 Nd O11 S2 Zn2 |
|---|---|
| Calculated formula | C40 H39 N8 Nd O11 S2 Zn2 |
| SMILES | [Nd]1234567([O]8[Zn]9%10([O]6c6c([O]5C)cccc6C=[N]%10CC[N]9=Cc5cccc([O]7C)c58)N=C=S)([O]=N(=O)O1)[O](C)c1cccc5c1[O]2[Zn]12([O]3c3c(C=[N]2CC[N]1=C5)cccc3[O]4C)N=C=S.N#CC |
| Title of publication | Slow magnetic relaxation of light lanthanide-based linear LnZn2 trinuclear complexes. |
| Authors of publication | Takehara, Chika; Then, Poh Ling; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 41 |
| Pages of publication | 18276 - 18283 |
| a | 12.0855 ± 0.0019 Å |
| b | 12.552 ± 0.002 Å |
| c | 16.34 ± 0.003 Å |
| α | 87.999 ± 0.006° |
| β | 69.453 ± 0.005° |
| γ | 70.683 ± 0.005° |
| Cell volume | 2181.1 ± 0.6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036630.cif |
| 171178 | 2015-12-09 | cif/ Updating files of 7036628, 7036629, 7036630, 7036631 Original log message: Adding full bibliography for 7036628--7036631.cif. |
7036630.cif |
| 158266 | 2015-09-24 | cif/ Adding structures of 7036628, 7036629, 7036630, 7036631 via cif-deposit CGI script. |
7036630.cif |
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Users of the data should acknowledge the original authors of the
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