Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7032558
Preview
| Coordinates | 7032558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H144 Mn3 N16 O34 Tb4 |
|---|---|
| Calculated formula | C88 H126 Mn3 N10 O34 Tb4 |
| SMILES | C1(C(C)(C)C)=[O][Mn]234([O]5[Tb]6789%10([N](CC5)(C)CC[O]57[Mn]7%11%12([N]([O]2%10)=Cc2cccc(OC)c2O%11)[O]2CC[N]%12(C)CC[O]97[Tb]7952([N](O)=Cc2cccc(OC)c2O9)([O]8c2c(C=[N]6O)cccc2[O]7C)OC(=O)C(C)(C)C)[O]=C(C(C)(C)C)O3)[O]2CC[N]3(C)CC[O]56[Mn]789%10[N]%11(CC[O]8[Tb]8%12%136([N](O)=Cc6cccc(OC)c6O%13)([O]6c%13c(C=[N](O)[Tb]2356([O]9%12CC%11)([O]4[N]7=Cc2cccc(c2O%10)OC)O1)cccc%13[O]8C)OC(=O)C(C)(C)C)C |
| Title of publication | A family of novel Mn3Ln4 clusters displaying single-molecule magnet behavior. |
| Authors of publication | Chen, Hui; Ma, Cheng-Bing; Hu, Ming-Qiang; Wen, Hui-Min; Chen, Chang-Neng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 44 |
| Pages of publication | 16737 - 16744 |
| a | 12.5662 ± 0.0005 Å |
| b | 16.2692 ± 0.0008 Å |
| c | 16.786 ± 0.0007 Å |
| α | 65.082 ± 0.004° |
| β | 70.517 ± 0.004° |
| γ | 67.353 ± 0.004° |
| Cell volume | 2811.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.4 K |
| Ambient diffraction temperature | 100 ± 0.4 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0897 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1659 |
| Weighted residual factors for all reflections included in the refinement | 0.1773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180031 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/25. |
7032558.cif |
| 126434 | 2014-11-06 | cif/ Updating files of 7032557, 7032558, 7032559 Original log message: Adding full bibliography for 7032557--7032559.cif. |
7032558.cif |
| 123830 | 2014-09-16 | cif/ Adding structures of 7032557, 7032558, 7032559 via cif-deposit CGI script. |
7032558.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.