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Information card for entry 7036503
Preview
| Coordinates | 7036503.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H39 La N8 O11 S2 Zn2 |
|---|---|
| Calculated formula | C40 H39 La N8 O11 S2 Zn2 |
| SMILES | [La]1234567([O]8[Zn]9%10([O]2c2c([O]1C)cccc2C=[N]9CC[N]%10=Cc1cccc([O]3C)c18)N=C=S)([O](C)c1cccc2c1[O]4[Zn]13([O]6c4c(C=[N]3CC[N]1=C2)cccc4[O]7C)N=C=S)[O]=N(O5)=O.N#CC |
| Title of publication | Structural switching from paramagnetic to single-molecule magnet behaviour of LnZn2 trinuclear complexes. |
| Authors of publication | Then, Poh Ling; Takehara, Chika; 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 | 18038 - 18048 |
| a | 12.0878 ± 0.0015 Å |
| b | 12.6225 ± 0.0018 Å |
| c | 16.365 ± 0.003 Å |
| α | 87.529 ± 0.007° |
| β | 69.44 ± 0.005° |
| γ | 70.545 ± 0.005° |
| Cell volume | 2196.7 ± 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 | 0.0592 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7036503.cif |
| 171183 | 2015-12-09 | cif/ Updating files of 7036501, 7036502, 7036503, 7036504, 7036505 Original log message: Adding full bibliography for 7036501--7036505.cif. |
7036503.cif |
| 156311 | 2015-09-15 | cif/ Adding structures of 7036501, 7036502, 7036503, 7036504, 7036505 via cif-deposit CGI script. |
7036503.cif |
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Users of the data should acknowledge the original authors of the
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