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Information card for entry 1544646
Preview
| Coordinates | 1544646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-Dy |
|---|---|
| Formula | C70 H83 Dy3 Sb3 |
| Calculated formula | C70 H83 Dy3 Sb3 |
| SMILES | [cH]12[cH]3[cH]4[cH]5[c]1(C)[Dy]167892345([cH]2[cH]1[cH]6[cH]8[c]92C)[Sb]([Dy]12345689([Sb](c%10c(cc(C)cc%10C)C)[Dy]%10%11%12%13%14%15%16%17([Sb]7c7c(cc(cc7C)C)C)([cH]7[cH]%10[cH]%11[cH]%12[c]%137C)[cH]7[cH]%14[cH]%15[cH]%16[c]%177C)([cH]7[cH]1[cH]2[cH]3[c]47C)[cH]1[cH]5[cH]6[cH]8[c]91C)c1c(cc(cc1C)C)C.c1cccc(c1)C |
| Title of publication | Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. |
| Authors of publication | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. |
| Journal of publication | Chemical science |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 3 |
| Pages of publication | 2073 - 2080 |
| a | 15.113 ± 0.0002 Å |
| b | 18.7437 ± 0.0002 Å |
| c | 24.0965 ± 0.0003 Å |
| α | 90° |
| β | 103.339 ± 0.001° |
| γ | 90° |
| Cell volume | 6641.75 ± 0.14 Å3 |
| Cell temperature | 150.01 ± 0.1 K |
| Ambient diffraction temperature | 150.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0635 |
| Weighted residual factors for all reflections included in the refinement | 0.0648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196364 (current) | 2017-05-06 | cif/ Updating files of 1544644, 1544645, 1544646, 1544647, 1544648 Original log message: Adding full bibliography for 1544644--1544648.cif. |
1544646.cif |
| 193740 | 2017-03-05 | cif/ Updating files of 1544644, 1544645, 1544646, 1544647, 1544648 Original log message: Adding full bibliography for 1544644--1544648.cif. |
1544646.cif |
| 188617 | 2016-11-22 | cif/ Adding structures of 1544644, 1544645, 1544646, 1544647, 1544648 via cif-deposit CGI script. |
1544646.cif |
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Users of the data should acknowledge the original authors of the
structural data.