Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1544645
Preview
| Coordinates | 1544645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-Dy |
|---|---|
| Formula | C70 H83 Dy3 Sb4 |
| Calculated formula | C70 H83 Dy3 Sb4 |
| SMILES | [Dy]123456789([cH]%10[c]4([cH]3[cH]2[cH]1%10)C)([cH]1[cH]5[cH]6[cH]7[c]81C)[Sb]([Sb]([Sb]91c2c(cc(cc2C)C)C)[Sb]2([Dy]13456789%10([cH]1[c]4([cH]3[cH]9[cH]1%10)C)[cH]1[c]8([cH]7[cH]6[cH]51)C)c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)[Dy]134567892([cH]2[cH]1[cH]9[cH]3[c]42C)[cH]1[c]8([cH]7[cH]6[cH]51)C.c1cccc(C)c1 |
| 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 | 14.8968 ± 0.0003 Å |
| b | 19.3308 ± 0.0004 Å |
| c | 24.2616 ± 0.0005 Å |
| α | 90° |
| β | 106.568 ± 0.002° |
| γ | 90° |
| Cell volume | 6696.5 ± 0.2 Å3 |
| Cell temperature | 150.02 ± 0.1 K |
| Ambient diffraction temperature | 150.02 ± 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 | 0.0411 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0581 |
| Weighted residual factors for all reflections included in the refinement | 0.0615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| 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. |
1544645.cif |
| 193740 | 2017-03-05 | cif/ Updating files of 1544644, 1544645, 1544646, 1544647, 1544648 Original log message: Adding full bibliography for 1544644--1544648.cif. |
1544645.cif |
| 188617 | 2016-11-22 | cif/ Adding structures of 1544644, 1544645, 1544646, 1544647, 1544648 via cif-deposit CGI script. |
1544645.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.