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Information card for entry 7118285
Preview
| Coordinates | 7118285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C110 H108 Dy7 N24 O39 P3 |
|---|---|
| Calculated formula | C110 H108 Dy7 N24 O39 P3 |
| SMILES | [Dy]1234567[N]8=Cc9c%10c(ccc9)[O]([Dy]9%11%12%13%14([n]%15c(cncc%15)C(=N[N]1=Cc1c(c(ccc1)OC)O7)[O]69)([O]3P1(c3c6ccccc6ccc3)=[O][Dy]3679%15([n]%16c(C(=[N]8)[O]47)cncc%16)([n]4ccncc4C4=N[N]7[Dy]8%16%17([n]%18c(C%19=N[N]%20[Dy]%21%22%23%24([N](=CC=%20)N=C%20c%25cncc[n]%25[Dy]%25%26%27%28([N](=Cc%29c(c(ccc%29)OC)O%25)N=C%25c%29cncc[n]%29[Dy]%29(O1)([O]%11C(C)=[O]%13)([O]%12P(c1c%11c(ccc1)cccc%11)([O]%26%29)=[O]%24)([O]%27%25)([O]=C(C)O%28)[O]=C(C)O%14)([O]%21%20)[O]%22=C(C)[O]8%23)([OH]C)([O]=P(c1cccc8c1cccc8)([O]3%16)[O]26)[O]%17%19)cncc%18)(Oc1c(cccc1C=7)OC)([O]=C(C)O9)[O]%154)[OH]C)[O]5%10)C.CO.CO.OC.OC |
| Title of publication | Cyclic single-molecule magnets: from the odd-numbered heptanuclear to a dimer of heptanuclear dysprosium clusters. |
| Authors of publication | Tian, Haiquan; Bao, Song-Song; Zheng, Li-Min |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 11 |
| Pages of publication | 2314 - 2317 |
| a | 14.7481 ± 0.0015 Å |
| b | 33.056 ± 0.003 Å |
| c | 25.607 ± 0.003 Å |
| α | 90° |
| β | 104.153 ± 0.002° |
| γ | 90° |
| Cell volume | 12105 ± 2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1325 |
| Residual factor for significantly intense reflections | 0.0796 |
| Weighted residual factors for significantly intense reflections | 0.18 |
| Weighted residual factors for all reflections included in the refinement | 0.2131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175880 (current) | 2016-02-04 | cif/ Updating files of 7118285, 7118286 Original log message: Adding full bibliography for 7118285--7118286.cif. |
7118285.cif |
| 173514 | 2016-01-06 | cif/ Adding structures of 7118285, 7118286 via cif-deposit CGI script. |
7118285.cif |
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Users of the data should acknowledge the original authors of the
structural data.